MUT056399 - Moligand™ , CAS No.1269055-85-7

Name: MUT056399 - Moligand™ , CAS No.1269055-85-7
SKU: M612117
Availability: InStock

CAS: 1269055-85-7 Cat. No.: M612117 PubChem CID: 44208849

COA

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AVAILABLE TO ORDER

GRADE & PURITY Moligand™ ?

Synonyms

SCHEMBL1498707 | GTPL11000 | Z3041517295 | QUHARGDBJJUOEB-UHFFFAOYSA-N | RQN | BCP24828 | 1269055-85-7 | BDBM50399407 | MUT056399 | MUT-056399 | 4-(4-ethyl-5-fluoranyl-2-oxidanyl-phenoxy)-3-fluoranyl-benzamide | HY-18169 | FAB001 | FAB-001 | MS-24189 | Be

Storage

Room temperature

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews Frequently Asked Questions

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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Names and Identifiers

Canonical Smiles	CCc1cc(O)c(cc1F)Oc1ccc(cc1F)C(=O)N
IUPAC Name	4-(4-ethyl-5-fluoro-2-hydroxyphenoxy)-3-fluorobenzamide
InChIKey	QUHARGDBJJUOEB-UHFFFAOYSA-N
INCHI	1S/C15H13F2NO3/c1-2-8-6-12(19)14(7-10(8)16)21-13-4-3-9(15(18)20)5-11(13)17/h3-7,19H,2H2,1H3,(H2,18,20)
Isomeric SMILES	CCC1=CC(=C(C=C1F)OC2=C(C=C(C=C2)C(=O)N)F)O
PubChem CID	44208849

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Diphenylethers

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Diphenylethers
Intermediate Tree Nodes	Not available
Direct Parent	Diphenylethers
Alternative Parents	Diarylethers 3-halobenzoic acids and derivatives Benzamides Phenoxy compounds Phenol ethers P-fluorophenols Benzoyl derivatives Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Primary carboxylic acid amides Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Diphenylether - Diaryl ether - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Phenol ether - 4-fluorophenol - Benzoyl - 4-halophenol - Fluorobenzene - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Aryl halide - Aryl fluoride - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Ether - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether 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 Structure

Associated Targets(Human)

ALB Tchem Serum albumin (2651 Activities)

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HEK293 (82097 Activities)

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HepG2 (196354 Activities)

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Liver (3974 Activities)

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Associated Targets(non-human)

fabI Enoyl-[acyl-carrier-protein] reductase (206 Activities)

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fabI Enoyl-[acyl-carrier-protein] reductase (FabI) (397 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Streptococcus pneumoniae (31063 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Staphylococcus haemolyticus (1695 Activities)

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Acinetobacter baumannii (41033 Activities)

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Moraxella catarrhalis (3334 Activities)

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Neisseria gonorrhoeae (1461 Activities)

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Neisseria meningitidis (411 Activities)

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Escherichia coli (133304 Activities)

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Proteus mirabilis (3894 Activities)

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Haemophilus influenzae (8812 Activities)

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Enterococcus faecalis (29875 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Canis familiaris (36305 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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Brain (1 Activities)

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Plasma (328 Activities)

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Heart (171 Activities)

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Lung (9 Activities)

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Kidney (1278 Activities)

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Mechanisms of Action

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	293.260 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	293.086 Da
Monoisotopic Mass	293.086 Da
Topological Polar Surface Area	72.600 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	369.000
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

Solution Calculators

Molarity Calculator

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Dilution Calculator

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Reconstitution Calculator

Reviews

Frequently Asked Questions

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 room temperature.

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

The CAS Number is 1269055-85-7. InChIKey QUHARGDBJJUOEB-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.

Need help choosing the grade?

Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.

View Moligand™ grade guide →

Bulk & Custom Packaging Need larger quantities or custom specifications? Contact our team for a tailored quote.

MUT056399 - Moligand™ , CAS No.1269055-85-7

Why this grade

Storage & shipping

Quality documents

Literature proof

Specifications

Documentation

📋 Safety Data Sheet (SDS)

✅ Certificate of Analysis (COA)

📊 Datasheet

🔬 Specification Sheet

Advanced Data

Molarity Calculator

Dilution Calculator

Reconstitution Calculator

Customer Reviews

Frequently Asked Questions

Need help choosing the grade?

View related series