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· · COA & SDS available for every product · Same-day shipping on in-stock items VER-50589 - ≥98% , CAS No.747413-08-7
Synonyms
SCHEMBL2948052 | PD056099 | VER50589 | VER-50589 | 5-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxy-phenyl)-isoxazole-3-carboxylic acid ethylamide | JXPCDMPJCKNLBY-UHFFFAOYSA-N | NCGC00378612-02 | AKOS026750396 | s7459 | HMS3653N05 | AKOS000118850 | BS-17518
Shipped In
Ice chest + Ice pads
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads 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
SCHEMBL2948052 | PD056099 | VER50589 | VER-50589 | 5-(5-chloro-2, 4-dihydroxyphenyl)-4-(4-methoxy-phenyl)-isoxazole-3-carboxylic acid ethylamide | JXPCDMPJCKNLBY-UHFFFAOYSA-N | NCGC00378612-02 | AKOS026750396 | s7459 | HMS3653N05 | AKOS000118850 | BS-17518
Specifications & Purity
≥98%
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid 504773335 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504773335 Canonical Smiles CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)OC)C3=CC(=C(C=C3O)O)Cl IUPAC Name 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide InChIKey JXPCDMPJCKNLBY-UHFFFAOYSA-N INCHI 1S/C19H17ClN2O5/c1-3-21-19(25)17-16(10-4-6-11(26-2)7-5-10)18(27-22-17)12-8-13(20)15(24)9-14(12)23/h4-9,23-24H,3H2,1-2H3,(H,21,25) Isomeric SMILES CCNC(=O)C1=NOC(=C1C2=CC=C(C=C2)OC)C3=CC(=C(C=C3O)O)Cl PubChem CID 135446210 Molecular Weight 388.8
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 Phenols Subclass Benzenediols Intermediate Tree Nodes Not available Direct Parent Resorcinols Alternative Parents Phenoxy compounds P-chlorophenols 2-heteroaryl carboxamides Anisoles O-chlorophenols Methoxybenzenes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Chlorobenzenes Aryl chlorides Isoxazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents 2-heteroaryl carboxamide - Phenoxy compound - Anisole - 2-chlorophenol - 2-halophenol - 4-halophenol - 4-chlorophenol - Phenol ether - Methoxybenzene - Resorcinol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Isoxazole - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as resorcinols. These are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3. 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) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 388.800 g/mol XLogP3 3.500 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 5 Exact Mass 388.083 Da Monoisotopic Mass 388.083 Da Topological Polar Surface Area 105.000 Ų Heavy Atom Count 27 Formal Charge 0 Complexity 502.000 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
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