(±)-Benzfendizone-C , CAS No.B1446745

CAS: B1446745 Cat. No.: B1446745 Formula: C₂₄₁₃CH₂₅F₃N₂O₆ Molecular Weight: 507.46

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

(±)-Benzfendizone- 13 C is the 13 C labeled (±)-Benzfendizone.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Molecular Weight: 507.46

Application Protocols

No tested applications or recommended protocols are provided for this item. If using as an analytical standard or research tool, develop and validate protocols under your specific instrumentation and assay conditions (e.g., HPLC/LC–MS method development, stock preparation stability studies).

Biological Roles

Item-specific

• No biological function, pathway association, or target annotation is provided for (±)-Benzfendizone-C. Treat as a generic research chemical. Research Use Note: For research use only.

General considerations

• If the compound name corresponds to a known series (e.g., metabolite or degradation product designated “-C”), typical applications may include use as an analytical standard in metabolism, stability, or environmental fate studies. However, no such role is confirmed for this item.
• For any bioassay work, determine cytotoxicity/compatibility empirically, starting with low micromolar concentrations and appropriate vehicle controls. Log all solvent percentages and prefilter solutions when sterile conditions are required.

Documentation

• Avoid inferring any biological activity in the absence of validated data. Obtain or generate MoA/target data, if relevant, under your lab’s assay conditions before use in mechanistic studies.

Buffer Applications

This product is not a buffer reagent, and no pKa or ionic functionality is provided. Therefore, buffer formulation guidance is not applicable.

If the compound must be dosed in buffered media (e.g., biological assays), select the buffer based on your system needs (PBS, HEPES, MOPS, acetate) and the compound’s stability/solubility once those data are known.

Green Alternatives

Without structural and property data, it is not possible to nominate compound-specific greener substitutes or processing solvents for (±)-Benzfendizone-C.

General guidance (process-focused)

• When formulating or processing unknown small molecules, first evaluate greener solvents per solvent selection guides (e.g., 2-MeTHF or CPME over THF/MTBE; EtOAc or MeCN over DCM; MeOH/EtOH over IPA/NMP where performance allows). Balance safety, environmental impact, and performance.
• For analytical stocks, minimize DMSO volumes by maximizing aqueous compatibility where the molecule permits; consider biobased solvents if feasible (Cyrene, dimethyl isosorbide) after compatibility testing.
• Implement solvent recovery and waste minimization strategies (scalable crystallization antisolvents, micro-scale screening to avoid large solvent consumption).

Note

• For any definitive LCA or solvent replacement decision, structural information and process constraints are required; consult the CoA/Spec Sheet and perform pilot trials.

Pharmaceutical Uses

No pharmacopeial status, excipient role, or formulation function is provided for this item. It is supplied strictly for research use only and is not intended for use in humans or clinical applications.

General note

• If used in pre-formulation research (in vitro only), characterize solubility across pH, stability (oxidative, hydrolytic, photolytic), and compatibility with common excipient classes before any technology scouting. Do not assume compliance with ICH/USP specifications unless explicitly documented on the CoA.

Physical Properties

Item-specific (from Product Data)

• Appearance: Not specified for this item; refer to CoA/Spec Sheet.
• Melting point (MP): Not specified for this item; refer to CoA/Spec Sheet.
• Boiling point (BP): Not specified for this item; refer to CoA/Spec Sheet.
• Density: Not specified for this item; refer to CoA/Spec Sheet.
• Refractive index: Not specified for this item; refer to CoA/Spec Sheet.
• Solubility: Not specified for this item; refer to CoA/Spec Sheet.
• LogP, pKa: Not specified for this item; refer to CoA/Spec Sheet.

General guidance (when properties are unknown)

• Conduct a small-scale solubility screen (100–500 µL) across solvent classes: polar protic (water, MeOH, EtOH), polar aprotic (DMSO, DMF, MeCN), moderately polar ethers/esters (THF, EtOAc), and nonpolar (toluene, hexanes). Start at 1–10 mg/mL.
• For poorly soluble materials, test co-solvent systems (e.g., DMSO:H2O 1:9 to 3:7), pH adjustment (if ionizable), or gentle warming (<40 °C) with vortex/sonication.
• If hygroscopic or volatile, perform measurements under inert atmosphere or with crimp-sealed vials. Record equilibrium solubility and precipitation on dilution for method development.

Notes

• Reported physical constants not provided in this listing must not be assumed as specifications. For regulated workflows or scale-up, verify all values on the product’s CoA/Spec Sheet and, if necessary, confirm in-house by DSC/TGA, Karl Fischer, or GC headspace depending on your needs.

Quality & Grades

Item-specific (from Product Data)

• Grade/Purity: Not specified for this item; refer to CoA/Spec Sheet.

Guidance on interpreting grades (general)

• Research/biochemical grade typically indicates suitability for laboratory research with general impurity controls; HPLC or LC–MS grade emphasizes low nonvolatile residue and low UV background for analytical workflows; AR/ACS grade aligns with defined assay limits for certain analytes.
• If chiral performance is relevant, note that “(±)” designates a racemate; any stated ee or dr would supersede that. In the absence of such data, assume no chiral enrichment.

Recommended quality checks (practical)

• Identity/purity: HPLC/UPLC with UV and/or MS detection. If the compound is UV-transparent, consider ELSD/CAD.
• Water content: Karl Fischer if moisture sensitivity is suspected (value not specified for this item; verify on CoA if reported).
• Residual solvents/volatiles: GC-FID/HS-GC as needed.
• Solid-state form: PXRD or DSC if polymorphism affects performance.

Documentation

• Do not treat any typical impurity limits (metals, peroxides, UV cutoff) as applicable unless explicitly shown on the item’s CoA/Spec Sheet. For regulated/critical experiments, qualify a retained sample and document method/system suitability.

Reaction & Applications

This section typically discusses the compound’s use as a reagent, substrate, or intermediate. For (±)-Benzfendizone-C, no structural or functional information is provided in the current listing, so reaction-specific guidance is not applicable.

Practical guidance (general)

• If your intent is to use this material as a reference standard, impurity marker, or analytical spike, establish identity/purity by orthogonal methods (HPLC, MS, NMR) and prepare a certified stock with documented concentration and stability.
• If using as a synthetic intermediate, request the structure and impurity profile (CoA/Spec Sheet) to assess functional group compatibility (e.g., base/acid sensitivity, redox stability) before selecting conditions.
• For stereochemical studies, note the racemic designation. Chiral resolution or asymmetric synthesis planning will require the absolute configuration and chiroptical data (e.g., optical rotation), which are not specified here.

Reaction Conditions

No reaction condition ranges (solvents, catalysts, temperatures, times) can be recommended for (±)-Benzfendizone-C without knowledge of its structure and functional groups.

General guidance

• For any transformation involving an unknown or newly sourced building block, begin with micro-scale trials (5–25 mg), monitor by LC–MS, and bracket conditions conservatively (ambient to 50 °C) until stability is established.
• Use inert atmosphere when in doubt, and include control experiments to detect degradation in the absence of reagents (thermal/solvent stability checks). Document mass balance and impurity growth before scale-up.

Safety & Handling

Item-specific (from Product Data)

• Storage Conditions: Store at -20°C.
• Shipped In: Ice chest + Ice pads (cold-chain maintained).
• GHS Classification, Signal Word, H-Statements, Pictograms: Not specified for this item; refer to SDS.

General safety guidance (defer to SDS for authoritative information)

• Handle in a fume hood with appropriate PPE: lab coat, safety glasses, and chemical-resistant gloves (e.g., nitrile). Avoid inhalation of dust/vapors and skin/eye contact.
• Incompatibilities are unknown; as a precaution, segregate from strong oxidizers/reductants and acids/bases until specific data are available. Avoid open flames and heat sources.
• First aid (overview): If inhaled—move to fresh air; if on skin—wash with soap/water; if in eyes—rinse with water for at least 15 minutes; if ingested—rinse mouth. Seek medical attention in all exposure cases. Bring SDS to medical personnel.
• Spill and disposal: Contain with inert absorbent, collect in sealed waste, and dispose through licensed chemical waste handlers following local regulations.
• Special risks: Without chemical class information, assume unknown chronic hazards. Minimize exposure, keep containers tightly closed, and label secondary containers with SKU and lot.

Documentation

• Obtain and consult the product SDS and CoA/Spec Sheet prior to first use, particularly if incorporating into bioassays or heated processes.

Solvent Selection

Item-specific (from Product Data)

• No solvent recommendations are specified for this item; refer to CoA/Spec Sheet.

General, structured approach for unknown small molecules

• Primary stock solutions: Start with DMSO due to broad solvating power and assay compatibility (typical 10–50 mM). If biological assays are planned, keep final DMSO ≤0.5–1% v/v in wells to minimize cytotoxic solvent effects.
• Screen a polarity ladder for preparative work:
  • Polar protic: water, MeOH, EtOH, i-PrOH (assess hydrogen bonding and ionization effects).
  • Polar aprotic: DMSO, DMF, DMAc, NMP, MeCN (good for high-dipole, non-hydrogen-bonding environments).
  • Moderately polar: acetone, EtOAc, THF/2-MeTHF (balanced volatility and solvation).
  • Nonpolar: toluene, MTBE, CPME, hexanes (for hydrophobic matrices and extraction/selectivity).
• For chromatographic purification: Begin with EtOAc/hexanes or MeOH/DCM systems, then refine with gradients; if ionic functionality is suspected, consider buffered MeOH/MeCN with 0.1% formic acid or ammonium bicarbonate.
• Crystallization strategies: If the compound is a racemate (as labeled), resolution might be required for enantiospecific studies. Explore solvent pairs for selective crystallization only after confirming solubility curves.

Notes

• Record solubility, stability (e.g., hydrolysis/oxidation), and UV profile during screening to inform method selection.

Storage & Reconstitution

Item-specific (from Product Data)

• Storage Conditions: Store at -20°C.
• Shipping: Ice chest + Ice pads (maintain cold chain during transit).

General handling and stability guidance

• Upon receipt, inspect packaging integrity and allow the container to equilibrate to room temperature (in a desiccator if possible) before opening to avoid condensation. Reseal promptly with inert headspace (e.g., dry nitrogen/argon) if the compound is moisture/air sensitive (unknown—exercise caution).
• For solid materials: Prepare small single-use aliquots to minimize freeze–thaw and headspace exposure. For oils/solutions: Transfer to amber, airtight vials with PTFE-lined caps; consider crimp-sealed vials for volatile analytes.
• Reconstitution: Because solubility is not specified, begin with anhydrous DMSO or MeCN at 10–50 mg/mL, then dilute into assay-compatible media. Filter through 0.22 µm PTFE/RC if particulates are present and sterility is required.
• Stability: No shelf-life or stability data are provided; verify by periodic HPLC/LC–MS. Protect from light until photostability is known. Avoid repeated freeze–thaw cycles.

Documentation

• For exact storage tolerances, solvent compatibility, and retest dates, consult the product CoA/Spec Sheet and SDS.

Structure & Identity

Item-specific (from Product Data)

• Product Name: (±)-Benzfendizone-C (SKU: B1446745)
• CAS: B1446745 (internal catalog reference)
• Molecular Formula: Not specified for this item; refer to CoA/Spec Sheet.
• Molecular Weight: Not specified for this item; refer to CoA/Spec Sheet.
• SMILES: Not specified for this item; refer to CoA/Spec Sheet.
• InChIKey: Not specified for this item; refer to CoA/Spec Sheet.

Interpretive notes (general/terminology)

• The prefix “(±)” denotes a racemic mixture containing both enantiomers in unspecified proportions (typically 1:1 unless otherwise noted). This is relevant for assays sensitive to stereochemistry (e.g., chiral recognition, enzyme selectivity).
• The suffix “-C” often designates a specific analog, impurity, metabolite, or isomer within a series; without a structure, treat this as a distinct chemical entity rather than a grade or lot code.

Structural features (discussion, general)

• Structural details (ring systems, functional groups, stereocenters) are not available in the current listing. If your work requires definitive structural identifiers (2D/3D structure, stereochemical assignment), request the CoA/Spec Sheet or NMR/MS data.

Practical identity controls (general guidance)

• For incoming QC where identity is critical, consider orthogonal methods: HRMS for accurate mass, 1H/13C NMR for core scaffold confirmation, chiral HPLC if enantiopurity/enantiomer ratio matters, and HPLC/UPLC for purity and retention-time match against a qualified reference when available.

Synthetic Utility

Synthetic applications cannot be detailed without structural information. No functional groups, oxidation state, or reactive motifs are provided for (±)-Benzfendizone-C.

General advice

• Before integrating into a synthetic route, request the full structure and impurity/stability data. Map potential incompatibilities (strong base/acid, nucleophiles/electrophiles, oxidants/reductants) and perform small-scale scouting experiments.
• If chirality is relevant downstream, the racemic notation “(±)” implies potential need for chiral resolution or enantioselective synthesis strategies; plan analytical methods (chiral HPLC/SFC) accordingly.

Target Specificity

Not applicable. This product is not an antibody, protein, or probe with defined biological target specificity in the provided data. No antigen/epitope or species reactivity information is available.