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· · COA & SDS available for every product · Same-day shipping on in-stock items CP-195543 - Moligand™ , Leukotriene B4 receptor antagonist, CAS No.204981-48-6, Leukotriene B4 receptor antagonist
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. Synonyms
(3S, 4R)-2-(3-benzyl-4-hydroxy-chroman-7-yl)-4-trifluoromethyl-benzoicacid | 2-[(3S,4R)-3-benzyl-4-hydroxy-3,4-dihydro-2H-chromen-7-yl]-4-(trifluoromethyl)benzoic acid | DB13053 | BDBM50215854 | 2-(3-benzyl-4-hydroxy-chroman-7-yl)-4-trifluoromethyl-benzoi
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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
(3S, 4R)-2-(3-benzyl-4-hydroxy-chroman-7-yl)-4-trifluoromethyl-benzoicacid | 2-[(3S, 4R)-3-benzyl-4-hydroxy-3, 4-dihydro-2H-chromen-7-yl]-4-(trifluoromethyl)benzoic acid | DB13053 | BDBM50215854 | 2-(3-benzyl-4-hydroxy-chroman-7-yl)-4-trifluoromethyl-benzoi
Specifications & Purity
Moligand™
Action Type
AGONIST, ANTAGONIST
Mechanism of action
Leukotriene B4 receptor antagonist
Product Properties Names and Identifiers Canonical Smiles O[C@@H]1[C@H](COc2c1ccc(c2)c1cc(ccc1C(=O)O)C(F)(F)F)Cc1ccccc1 IUPAC Name 2-[(3S,4R)-4-hydroxy-3-(phenylmethyl)chroman-7-yl]-4-(trifluoromethyl)benzoic acid InChIKey NZQDWKCNBOELAI-KSFYIVLOSA-N INCHI 1S/C24H19F3O4/c25-24(26,27)17-7-9-18(23(29)30)20(12-17)15-6-8-19-21(11-15)31-13-16(22(19)28)10-14-4-2-1-3-5-14/h1-9,11-12,16,22,28H,10,13H2,(H,29,30)/t16-,22+/m0/s1 Isomeric SMILES C1[C@@H]([C@H](C2=C(O1)C=C(C=C2)C3=C(C=CC(=C3)C(F)(F)F)C(=O)O)O)CC4=CC=CC=C4 PubChem CID 9823886 Molecular Weight 428.4
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.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Phenylpropanoids and polyketides Class Diarylheptanoids Subclass Linear diarylheptanoids Intermediate Tree Nodes Not available Direct Parent Linear diarylheptanoids Alternative Parents Homoisoflavans Trifluoromethylbenzenes 1-benzopyrans Benzoic acids Benzoyl derivatives Alkyl aryl ethers Secondary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides Molecular Framework Aromatic heteropolycyclic compounds Substituents Linear 1,7-diphenylheptane skeleton - Homoisoflavan - Homoisoflavonoid - Chromane - Benzopyran - Trifluoromethylbenzene - 1-benzopyran - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Ether - Hydrocarbon derivative - Alcohol - Organohalogen compound - Organofluoride - Organic oxide - Alkyl halide - Organooxygen compound - Organic oxygen compound - Alkyl fluoride - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain. External Descriptors Not available Data sources 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.
3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 428.400 g/mol XLogP3 5.100 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 4 Exact Mass 428.124 Da Monoisotopic Mass 428.124 Da Topological Polar Surface Area 66.800 Ų Heavy Atom Count 31 Formal Charge 0 Complexity 618.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 2 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
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