FRAX 486(Cas No 1232030-35-1) Moligand™, ≥96% high purity and research grade

Name: FRAX 486 - Moligand™, ≥96% , Inhibitor of p21 (RAC1) activated kinase 1;Inhibitor of p21 (RAC1) activated kinase 2;Inhibitor of p21 (RAC1) activated kinase 3;Inhibitor of p21 (RAC1) activated kinase 4, CAS No.1232030-35-1, Inhibitor of p21 (RAC1) activated kinase 1;Inhibitor of p21 (RAC1) activated kinase 2;Inhibitor of p21 (RAC1) activated kinase 3;Inhibitor of p21 (RAC1) activated kinase 4
Brand: Aladdin Scientific
SKU: F286996
Availability: InStock

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Moligand™, ≥96% Moligand™ 최소한의 기준선 간섭이 필요한 민감한 크로마토그래피 및 분석 워크플로우용.

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보관 및 배송

Store at -20°C Ice chest + Ice pads 출고. 정확한 사양은 로트별 COA를 확인하세요.

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품질 문서

SDS, COA, 데이터시트, 사양서를 다운로드할 수 있습니다. 로트별 COA는 로트 번호 조회를 통해 확인할 수 있습니다.

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문헌적 근거

크로마토그래피, 유기 합성 및 교차 커플링 반응 분야의 동료 심사 논문 0편에서 인용되었습니다.

사양

동의어

FRAX486 | 6-(2,4-Dichlorophenyl)-8-ethyl-2-[[3-fluoro-4-(1-piperazinyl)phenyl]amino]pyrido[2,3-d]pyrimidin-7(8H)-one, FRAX 486, FRAX-486, 6-(2,4-Dichlorophenyl)-8-ethyl-2-(3-fluoro-4-(piperazin-1-yl)phenylamino)pyrido[2,3-d] pyrimidin-7(8H)-one | 6-(2,4-d

사양 및 순도

Moligand™, ≥96%

생화학 및 생리적 메커니즘

Potent p21-activated kinase (PAK) inhibitor (IC50 values of 14, 33, 39 and 575 nM for PAK1, PAK2, PAK3 and PAK4, respectively). Blocks and reverses DISC1 knockdown-induced reduction in dendritic spine size in cortical neurons. Attenuates dendritic spine

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

INHIBITOR

작동 메커니즘

Inhibitor of p21 (RAC1) activated kinase 1;Inhibitor of p21 (RAC1) activated kinase 2;Inhibitor of p21 (RAC1) activated kinase 3;Inhibitor of p21 (RAC1) activated kinase 4

순수함

≥96%

이름과 식별자

Pubchem Sid

488202115

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488202115

정식 스마일

CCN1C2=NC(=NC=C2C=C(C1=O)C3=C(C=C(C=C3)Cl)Cl)NC4=CC(=C(C=C4)N5CCNCC5)F

IUPAC Name

6-(2,4-dichlorophenyl)-8-ethyl-2-(3-fluoro-4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one

InChIKey

DHKFOIHIUYFSOF-UHFFFAOYSA-N

INCHI

1S/C25H23Cl2FN6O/c1-2-34-23-15(11-19(24(34)35)18-5-3-16(26)12-20(18)27)14-30-25(32-23)31-17-4-6-22(21(28)13-17)33-9-7-29-8-10-33/h3-6,11-14,29H,2,7-10H2,1H3,(H,30,31,32)

이성체 SMILES

CCN1C2=NC(=NC=C2C=C(C1=O)C3=C(C=C(C=C3)Cl)Cl)NC4=CC(=C(C=C4)N5CCNCC5)F

분자량

513.39

Reaxy-Rn

20473374

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20473374&ln=

문서

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✅ 분석 성적서(COA)

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고급 데이터

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - 분류 Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
분류	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpiperazines
Alternative Parents	Phenylpyridines N-arylpiperazines Pyrido[2,3-d]pyrimidines Aniline and substituted anilines Dichlorobenzenes Dialkylarylamines Pyridinones Aminopyrimidines and derivatives Fluorobenzenes Aryl chlorides Aryl fluorides Heteroaromatic compounds Lactams Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organooxygen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenylpiperazine - 3-phenylpyridine - N-arylpiperazine - Pyrido[2,3-d]pyrimidine - Pyridopyrimidine - 1,3-dichlorobenzene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Chlorobenzene - Fluorobenzene - Halobenzene - Pyridinone - Aminopyrimidine - Pyrimidine - Benzenoid - Aryl fluoride - Pyridine - Aryl halide - Monocyclic benzene moiety - Aryl chloride - Heteroaromatic compound - Tertiary amine - Lactam - Azacycle - Secondary aliphatic amine - Secondary amine - Organohalogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organochloride - Organofluoride - Aromatic heteropolycyclic compound
설명	This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D 구조

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리뷰

Application Protocols

No tested application protocols are provided in the product data for this item.

General, non-validated guidance for chemical probe use:

Enzyme assays: Start with a broad concentration range (e.g., 0.1 nM–30 µM), maintain constant vehicle, and measure initial rates to avoid time-dependent artifacts.
Cell-based assays: Titrate across 7–10 half-log dilutions with replicate wells; monitor cytotoxicity separately. Limit final DMSO ≤0.1–0.5% v/v when possible.
Washout/Recovery: For reversibility studies, perform washout and follow recovery kinetics relative to vehicle controls.
Data quality: Include biological replicates, plate controls (positive/negative), and appropriate curve-fitting (four-parameter logistic) with goodness-of-fit diagnostics.

Note: These are general practices; they are not validated protocols for FRAX 486. Tailor to your system and confirm with pilot experiments.

Biological Roles

Scope: No target or MoA information is provided in the product data for this SKU. The following provides general, literature-framed context for small-molecule research probes of kinase pathways; do not treat as item specifications.

General/literature context:

Small-molecule kinase-pathway modulators are widely used to interrogate signaling cascades governing cell proliferation, cytoskeletal dynamics, and stress responses. They can serve as tools to validate pathway involvement in phenotypes by acute, reversible modulation of enzymatic activity.
Chemical probes typically feature heteroaromatic scaffolds that engage ATP-binding clefts or allosteric pockets via H-bonding and hydrophobic contacts, enabling potency in the low micromolar to nanomolar ranges (compound- and target-dependent).
In cellular systems, probe performance depends on permeability, efflux liabilities, protein binding, and metabolic stability. Thus, observed biological effects can deviate from purified-enzyme results, underscoring the need for orthogonal assays and counterscreens.

Good practices:

Define a concentration-response curve and report EC50/IC50 with confidence intervals and Hill slope.
Include selectivity panels or at least sentinel off-target assays to contextualize findings.
Use appropriate negative controls (inactive analogs or vehicle) and, where feasible, genetic perturbations (e.g., siRNA/CRISPR) to triangulate on-target activity.

Note: Consult primary literature and your internal data for FRAX 486-specific targets, potencies, and selectivity before drawing mechanistic conclusions.

Buffer Applications

Not typically applicable as a buffering agent. FRAX 486 is a bioactive small molecule used as a chemical probe rather than a pH buffer.

Practical notes for assay buffers (general):

Use standard biological buffers (e.g., PBS, HEPES, Tris) compatible with your target system.
Maintain constant vehicle concentration (e.g., DMSO 0.1–1% v/v) across all wells/tubes.
To mitigate compound precipitation on dilution, pre-warm buffers, add DMSO stock slowly with mixing, and incorporate solubilizing aids (e.g., minimal Tween 80 or 0.1% BSA) if assay-tolerated.
Filter buffers (0.2 µm) and degas when performing sensitive spectroscopic or microfluidic assays to reduce noise and bubble formation.

Green Alternatives

Context: For FRAX 486 as a bioactive probe, "green alternatives" primarily concern solvent and formulation choices rather than replacing the compound itself.

Greener handling strategies (general):

Solvent selection: Prefer water-rich media with minimal DMSO (≤0.1–0.5% v/v) where activity permits. Evaluate ethanol/water or PEG 400/water vehicles as alternatives to high-DMSO content.
Stock management: Use concentrated, small-volume aliquots to reduce solvent use and waste. Implement just-in-time preparation to minimize expired materials.
Assay miniaturization: Transition to microplate formats (e.g., 384- or 1536-well) to reduce per-experiment solvent and compound consumption.
Waste reduction: Segregate DMSO/organic waste; explore solvent recycling programs where permitted.

Illustrative comparison (general):

DMSO vs Ethanol for stock prep:
- Environmental profile: Ethanol is bio-based and has a lower environmental persistence than DMSO.
- Performance: DMSO typically offers greater solubility for hydrophobic inhibitors. Ethanol may require higher final percentages, which can limit biological compatibility.

Trade-offs:

Lower-toxicity vehicles (ethanol, PEG/water) may lower solubility ceilings; careful titration and pre-solubilization steps are required. Always confirm assay performance and target integrity when changing vehicles.

Pharmaceutical Uses

No pharmaceutical/formulation status is provided in the product data. This item is supplied strictly for research use only (product data: Research Use Note).

General R&D context (non-clinical, non-therapeutic):

Preformulation screening: Evaluate solubility, stability, and compatibility with excipient systems (e.g., cyclodextrins, PEGs) for in vitro and ex vivo studies.
Bioanalytical reference: Use as a reference standard in method development (e.g., LC–MS/MS), ensuring identity/purity are verified for the specific lot (CoA review essential).
Exploratory delivery vehicles: For non-clinical models, typical vehicles include DMSO/PEG/saline mixtures or lipid-based carriers; performance and tolerability are model-dependent and must be justified by IACUC/ethical review where applicable. These considerations remain research-only and are not product specifications.

Compliance reminder:

Not for human or veterinary use. No claims are made regarding safety, efficacy, or pharmacopeial compliance. For any regulated application, obtain and review batch CoA and SDS, and perform internal qualification.

Physical Properties

Item-specific specifications:

Appearance: Not specified for this item; refer to CoA/Spec Sheet.
Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.
Molecular Formula: Not specified for this item; refer to CoA/Spec Sheet.
Melting point / Boiling point / Density / Refractive index / UV cutoff / Residuals: Not specified for this item; refer to CoA/Spec Sheet.

General/literature guidance for FRAX-series inhibitors (non-spec, for planning only):

Physical state: Typically solid at ambient temperature (literature, class expectation for small-molecule kinase inhibitors).
Solubility (assay preparation): Often prepared as concentrated stocks in anhydrous DMSO (e.g., 10–50 mM), then diluted into aqueous assay buffers with final DMSO ≤0.1–1% v/v to minimize solvent effects (general practice).
Aqueous solubility: Frequently limited without cosolvent or surfactant; consider DMSO, ethanol, or PEG-containing vehicles for intermediate dilutions (general guidance).
Stability: Many kinase inhibitors are light- and moisture-sensitive to varying degrees; avoid prolonged exposure to air and light; store at low temperature as directed by product data.

Important: Do not use the above generalities as specifications. For quantitative properties (e.g., exact solubility, pKa, logP, polymorph), consult the CoA/Spec Sheet or primary literature for FRAX 486 specifically.

Quality and Grades

Grade/Purity: Moligand™ (product data).

About Moligand™ (general description of grade):

Moligand™ designates a bioactive small-molecule/research-ligand grade intended for chemical biology, target validation, and screening workflows. Emphasis is typically on high chemical purity (often HPLC verified), identity confirmation (NMR/MS), and controlled impurities suited for discovery workflows. Exact purity thresholds, residual solvent limits, water content, and chromatographic parameters are item-specific.

This item:

Purity, assay (HPLC/NMR), residual solvents, water/peroxide/metal limits, counter-ion content, and salt form: Not specified for this item; refer to CoA/Spec Sheet.
Appearance and batch-specific test methods: Not specified for this item; refer to CoA/Spec Sheet.

Implications for use:

Moligand™ materials are generally suitable for screening (biochemical/cellular), mechanistic studies, and as reference standards. For quantitative SAR, bioanalytical calibration, or in vivo method development, confirm batch-specific attributes (purity, identity, form, and stability) using the supplied CoA.
If low-UV baseline for chromatography is critical, verify UV profile on the CoA or run a quick scouting gradient to ensure compatibility with your detection wavelength.

Reaction and Applications

Scope: As supplied, FRAX 486 is primarily used as a research probe/screening compound rather than as a synthetic reagent. No manufacturer application text is provided for this SKU.

Practical laboratory applications (general for bioactive probes):

Target engagement studies: Use in biochemical enzyme assays, cellular target engagement, or pathway modulation assays as a chemical probe (literature context). Validate concentration ranges and exposure times empirically.
Comparative SAR: Benchmark activity against structural analogs or reference inhibitors to establish selectivity profiles (orthogonal assays recommended).
Chemical biology tool: Apply in phenotypic screens to interrogate pathway dependence. Include vehicle controls and concentration-response designs (e.g., 8–12 points, half-log spacing).

Assay preparation tips (general):

Prepare fresh DMSO stock solutions (e.g., 10–20 mM), filter if compatible (PTFE, 0.2 µm) to remove particulates, and avoid repeated freeze–thaw by aliquoting.
Minimize nonspecific binding by using low-binding plasticware and adding carrier protein (e.g., 0.1% BSA) when compatible with the assay.
Monitor precipitation after dilution into aqueous buffers; gentle warming and slow addition under mixing can help. Discard solutions showing visible precipitate or turbidity drift during the assay window.

Note: Specific biochemical targets and potencies for FRAX 486 are not provided in the product data; consult primary literature and confirm with internal controls.

Reaction Conditions

Not primarily applicable: FRAX 486 is a finished small-molecule probe rather than a reagent for promoting chemical reactions.

General laboratory handling for solution preparation (non-reaction conditions):

Stock solutions: Dissolve in anhydrous DMSO (common practice) at 10–50 mM. Vortex and, if necessary, sonicate briefly. Filter through 0.2 µm PTFE if particulate persists.
Working dilutions: Prepare immediately before use by serial dilution into assay buffer, maintaining consistent final vehicle percentage across samples.
Temperature: Perform dissolution at ambient temperature; mild warming (30–37°C) can assist solubilization. Avoid prolonged heating that may cause degradation.
Light/Moisture: Protect from light and moisture during preparation and storage to enhance stability (general good practice for bioactives).

If employing FRAX 486 in chemical biology conjugations or immobilization (general):

Reaction conditions depend entirely on the verified functional groups present; consult primary literature and test on small scale first. Avoid conditions that could modify the pharmacophore if biological activity must be retained.

Safety and Handling

Authoritative safety information must be taken from the product SDS.

Item-specific hazard data:

GHS Classification / Pictograms / Signal Word / H-Statements: Not specified for this item; refer to SDS.

General laboratory precautions for bioactive small molecules:

PPE: Wear lab coat, safety glasses, and appropriate chemical-resistant gloves (e.g., nitrile). Handle powders in a fume hood or ventilated enclosure to avoid dust/aerosol generation.
Avoid exposure: These compounds may be biologically active at low concentrations; prevent inhalation, ingestion, or skin contact. Use closed containers and secondary containment for transfers.
First aid (overview): If skin contact occurs, wash with soap and water. If eye contact, rinse with water for ≥15 minutes and seek medical attention. If inhaled, move to fresh air. If ingested, seek medical attention. Follow SDS-specified procedures.
Incompatibilities: Strong oxidizers and strong acids/bases may degrade organic inhibitors (general). Keep away from ignition sources when using organic solvents (DMSO/ethanol).
Waste: Collect solutions and contaminated disposables as organic hazardous waste per institutional and regulatory requirements.
Transport/Shipping: Shipped with ice packs; maintain low temperature to preserve integrity. Inspect for container integrity on receipt.

Always defer to the SDS and institutional EHS guidance for risk assessment and controls specific to FRAX 486.

Solvent Selection

Applicability: FRAX 486 is a bioactive, hydrophobic small molecule; solvent choice primarily concerns preparing assay stocks and dosing solutions rather than reaction media.

General guidance (non-spec):

Primary stock solvent: Anhydrous DMSO is commonly used due to strong solubilizing power and assay compatibility at ≤0.1–1% v/v (literature/general practice for kinase inhibitors).
Alternative cosolvents/vehicles: Ethanol (absolute), DMF (anhydrous), PEG 400, or aqueous buffers with cosolvent and/or surfactants (e.g., 0.5–1% Tween 80) may help during intermediate dilutions. Verify biological compatibility for your assay system.
Aqueous buffers: Use PBS, HEPES, or assay-specific buffers; to mitigate precipitation after dilution, pre-warm buffer and add DMSO stock slowly with vigorous mixing; maintain final DMSO % constant across controls.

Polarity/miscibility notes (general):

DMSO: Polar aprotic, fully miscible with water; excellent for hydrophobes but can affect membrane integrity and enzyme activity at higher percentages.
Ethanol: Miscible with water; biocompatibility is assay-dependent; often limited to ≤0.5–1% v/v in cell systems.

Small comparison (general):

DMSO vs Ethanol: DMSO offers higher solubilizing power; ethanol may be preferable when DMSO-sensitive targets are studied. Pilot solubility and activity checks are recommended before large experiments.

Storage and Reconstitution

Item-specific instructions:

Storage Conditions: Store at -20°C (product data).
Shipped In: Ice chest + Ice pads (product data).
Appearance: Not specified for this item; refer to CoA/Spec Sheet.

General reconstitution guidance (non-spec):

Solvent: Reconstitute in anhydrous DMSO to prepare a concentrated stock (e.g., 10–50 mM). If another solvent is preferred (ethanol/DMF), verify compatibility with intended assays.
Aliquoting: Dispense single-use aliquots in low-bind tubes to avoid repeated freeze–thaw cycles. Backfill vials with inert gas when feasible to reduce oxidation/moisture uptake.
Storage of solutions: Store DMSO stocks at -20°C, protected from light. Allow to equilibrate to room temperature before opening to minimize moisture condensation; re-seal promptly.
Stability monitoring: Track preparation date and perform periodic QC (e.g., analytical HPLC) if solutions are stored for extended periods. Discard if precipitation, discoloration, or activity loss is observed.

Important notes:

Exact solubility limits, solution stability, and freeze–thaw tolerance are not specified for this item; refer to CoA/Spec Sheet and perform pilot stability tests under your laboratory conditions.
For research use only (product data). Not for human or veterinary use.

Structure and Identity

Brief: FRAX 486 is a bioactive small molecule offered for research screening and probe studies.

Product Name: FRAX 486 (SKU: F286996)
CAS: 1232030-35-1 (product data)
PubChem CID: 68060125 (product data)
InChIKey: 63533 (as provided in product data)
SMILES: Not specified for this item; refer to CoA/Spec Sheet.
Molecular Formula: Not specified for this item; refer to CoA/Spec Sheet.
Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.

Structural notes (general/literature context):

FRAX-series molecules are typically heteroaromatic, kinase-targeted small molecules containing multiple ring systems and H-bond donor/acceptor motifs. Specific functional groups and stereochemistry for FRAX 486 should be confirmed from the CoA or primary literature.

2D structure description (general guidance):

Expect a multi-ring, largely planar core with heteroatoms positioned to engage protein active sites via hydrogen bonding and dipolar interactions; exact atom connectivity is not provided here and should be verified from authoritative databases (e.g., PubChem record 68060125) or the item’s Spec Sheet before quantitative work.

Synthetic Utility

Applicability: FRAX 486 is offered as a finished bioactive probe rather than as a synthetic intermediate.

General utility in chemistry workflows:

Reference compound: Serves as a comparator in SAR campaigns and as a control in biochemical or cellular assays.
Analytical marker: Useful for developing and validating chromatographic and spectrometric methods (retention behavior, fragmentation patterns). Ensure availability of a stable isotopologue or internal standard if quantitative bioanalysis is intended.

If derivatization is desired (general considerations):

Without item-specific structure data here, any functionalization strategy must be based on verified structural information (consult PubChem CID 68060125 and primary literature). Common modifications in probe development include bioorthogonal tags (alkynes/azides) or linkers for affinity reagents, typically installed at positions shown to be solvent-exposed in structure–activity studies.

Caveat:

No item-specific functional group list, protecting group strategy, or reactivity profile is provided in the product data; confirm structure and compatibility before planning transformations.

Target Specificity

Item-specific target information is not provided in the product data for this SKU.

Target(s), pathway, isoform selectivity, Kd/IC50 values, and off-target profile: Not specified for this item; refer to CoA/Spec Sheet and primary literature for FRAX 486.

Guidance:

Establish target specificity empirically using a combination of biochemical assays, cellular phenotyping, and orthogonal counterscreens. Include appropriate negative controls and, where possible, genetic validation to corroborate chemical probe findings.

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1232030-35-1, the molecular formula is C25H23Cl2FN6O, and the molecular weight is 513.39 g/mol. InChIKey DHKFOIHIUYFSOF-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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Lot Number	Certificate Type	날짜	항목
I2615080	Certificate of Analysis	Sep 24, 2026	F286996
C23311074	Certificate of Analysis	Jan 20, 2026	F286996
C23311075	Certificate of Analysis	Jan 20, 2026	F286996
C23311076	Certificate of Analysis	Jan 20, 2026	F286996
C23311077	Certificate of Analysis	Jan 20, 2026	F286996
C23311078	Certificate of Analysis	Jan 20, 2026	F286996
C23311079	Certificate of Analysis	Jan 20, 2026	F286996
C23311080	Certificate of Analysis	Jan 20, 2026	F286996
C23311081	Certificate of Analysis	Jan 20, 2026	F286996
C23311082	Certificate of Analysis	Jan 20, 2026	F286996
C23311083	Certificate of Analysis	Jan 20, 2026	F286996
C23311084	Certificate of Analysis	Jan 20, 2026	F286996
C2331390	Certificate of Analysis	Jan 20, 2026	F286996

용해성	Solvent:DMSO, Max Conc. mg/mL: 10.27, Max Conc. mM: 20
분자량	513.400 g/mol
XLogP3	4.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	512.129 Da
Monoisotopic Mass	512.129 Da
Topological Polar Surface Area	73.400 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	783.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1