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· · COA & SDS available for every product · Same-day shipping on in-stock items TC HSD 21 - ≥99%(HPLC) , CAS No.330203-01-5
Synonyms
5-[(3-Bromo-4-hydroxyphenyl)methylene]-3-(4-methoxyphenyl)-2-thioxo-4-thiazolidinone
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Why this grade ≥99%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C Ships Wet ice 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
5-[(3-Bromo-4-hydroxyphenyl)methylene]-3-(4-methoxyphenyl)-2-thioxo-4-thiazolidinone
Specifications & Purity
≥99%(HPLC)
Biochemical and Physiological Mechanisms
Potent 17β-hydroxysteroid dehydrogenase type 3 (17β-HSD3) inhibitor (IC50values are 6 and 40 nM at human and mouse 17β-HSD3 respectively). Displays no activity at 17β-HSD1, 17β-HSD2, ERα, androgen receptors or glucocorticoid receptors.
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)O)Br)SC2=S IUPAC Name (5Z)-5-[(3-bromo-4-hydroxyphenyl)methylidene]-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one InChIKey HEFKAUYVLSGPGC-DHDCSXOGSA-N INCHI 1S/C17H12BrNO3S2/c1-22-12-5-3-11(4-6-12)19-16(21)15(24-17(19)23)9-10-2-7-14(20)13(18)8-10/h2-9,20H,1H3/b15-9- Isomeric SMILES COC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)O)Br)/SC2=S PubChem CID 1774851 Molecular Weight 422.32
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 Benzenoids Class Benzene and substituted derivatives Subclass Aniline and substituted anilines Intermediate Tree Nodes Not available Direct Parent Methoxyanilines Alternative Parents Phenoxy compounds Anisoles O-bromophenols Methoxybenzenes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Bromobenzenes Thiazolidinethiones Aryl bromides Azacyclic compounds Carboxylic acids and derivatives Carbonyl compounds Organic oxides Organosulfur compounds Organobromides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - 2-halophenol - Phenol ether - 2-bromophenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Phenol - Aryl bromide - Aryl halide - Thiazolidinethione - Thiazolidine - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Organosulfur compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as methoxyanilines. These are organic compound containing an aniline group substituted at one or more positions by a methoxy group. 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 Solubility Solvent:DMSO, Max Conc. mg/mL: 42.23, Max Conc. mM: 100 Molecular Weight 422.300 g/mol XLogP3 4.800 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 3 Exact Mass 420.944 Da Monoisotopic Mass 420.944 Da Topological Polar Surface Area 107.000 Ų Heavy Atom Count 24 Formal Charge 0 Complexity 534.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 1 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 1 Covalently-Bonded Unit Count 1
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