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· · COA & SDS available for every product · Same-day shipping on in-stock items 3-[2-(4-p-Tolyl-thiazol-2-ylmethyl)-thiazol-4-yl]-chromen-2-one , CAS No.402954-69-2
Synonyms
3-[2-(4-p-Tolyl-thiazol-2-ylmethyl)-thiazol-4-yl]-chromen-2-one | 3-(2-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl}-1,3-thiazol-4-yl)-2H-chromen-2-one | CBKinase1_001477 | CBKinase1_013877 | Oprea1_461045 | MLS000557753 | HMS2487B06 | AKOS000529549 | 3-[
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Why this grade 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
3-[2-(4-p-Tolyl-thiazol-2-ylmethyl)-thiazol-4-yl]-chromen-2-one | 3-(2-{[4-(4-methylphenyl)-1, 3-thiazol-2-yl]methyl}-1, 3-thiazol-4-yl)-2H-chromen-2-one | CBKinase1_001477 | CBKinase1_013877 | Oprea1_461045 | MLS000557753 | HMS2487B06 | AKOS000529549 | 3-[
Product Properties Names and Identifiers Canonical Smiles CC1=CC=C(C=C1)C2=CSC(=N2)CC3=NC(=CS3)C4=CC5=CC=CC=C5OC4=O IUPAC Name 3-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-yl]chromen-2-one InChIKey VNBFIYLSKXPSFD-UHFFFAOYSA-N INCHI 1S/C23H16N2O2S2/c1-14-6-8-15(9-7-14)18-12-28-21(24-18)11-22-25-19(13-29-22)17-10-16-4-2-3-5-20(16)27-23(17)26/h2-10,12-13H,11H2,1H3 Isomeric SMILES CC1=CC=C(C=C1)C2=CSC(=N2)CC3=NC(=CS3)C4=CC5=CC=CC=C5OC4=O PubChem CID 2906514 Molecular Weight 416.5
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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Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Phenylpropanoids and polyketides Class Coumarins and derivatives Subclass Not available Intermediate Tree Nodes Not available Direct Parent Coumarins and derivatives Alternative Parents 1-benzopyrans Toluenes Pyranones and derivatives 2,4-disubstituted thiazoles Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Coumarin - Benzopyran - 1-benzopyran - 2,4-disubstituted 1,3-thiazole - Pyranone - Toluene - Monocyclic benzene moiety - Pyran - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). 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 416.500 g/mol XLogP3 5.700 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 4 Exact Mass 416.065 Da Monoisotopic Mass 416.065 Da Topological Polar Surface Area 109.000 Ų Heavy Atom Count 29 Formal Charge 0 Complexity 634.000 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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