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· · COA & SDS available for every product · Same-day shipping on in-stock items bederocin - Moligand™ , CAS No.757942-43-1
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
D09324 | 2-[3-[[4-bromo-5-(1-fluoroethenyl)-3-methylthiophen-2-yl]methylamino]propylamino]-1H-quinolin-4-one | 4(1H)-QUINOLINONE, 2-((3-(((4-BROMO-5-(1-FLUOROETHENYL)-3-METHYL-2- THIENYL)METHYL)AMINO)PROPYL)AMINO)- | 4-methylbenzimidamidehydrochloride | A
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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
D09324 | 2-[3-[[4-bromo-5-(1-fluoroethenyl)-3-methylthiophen-2-yl]methylamino]propylamino]-1H-quinolin-4-one | 4(1H)-QUINOLINONE, 2-((3-(((4-BROMO-5-(1-FLUOROETHENYL)-3-METHYL-2- THIENYL)METHYL)AMINO)PROPYL)AMINO)- | 4-methylbenzimidamidehydrochloride | A
Specifications & Purity
Moligand™
Names and Identifiers Canonical Smiles CC1=C(SC(=C1Br)C(=C)F)CNCCCNC2=CC(=O)C3=CC=CC=C3N2 IUPAC Name 2-[3-[[4-bromo-5-(1-fluoroethenyl)-3-methylthiophen-2-yl]methylamino]propylamino]-1H-quinolin-4-one InChIKey BGJMKHPWCFXMOW-UHFFFAOYSA-N INCHI 1S/C20H21BrFN3OS/c1-12-17(27-20(13(2)22)19(12)21)11-23-8-5-9-24-18-10-16(26)14-6-3-4-7-15(14)25-18/h3-4,6-7,10,23H,2,5,8-9,11H2,1H3,(H2,24,25,26) Isomeric SMILES CC1=C(SC(=C1Br)C(=C)F)CNCCCNC2=CC(=O)C3=CC=CC=C3N2 Alternate CAS 757942-43-1 PubChem CID 9868368 MeSH Entry Terms REP8839
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 Organoheterocyclic compounds Class Quinolines and derivatives Subclass Aminoquinolines and derivatives Intermediate Tree Nodes Not available Direct Parent Aminoquinolines and derivatives Alternative Parents Hydroquinolones Hydroquinolines Aminopyridines and derivatives Secondary alkylarylamines Aralkylamines Aryl bromides Benzenoids Vinylogous amides Thiophenes Heteroaromatic compounds Vinyl fluorides Azacyclic compounds Dialkylamines Fluoroalkenes Organooxygen compounds Organofluorides Organopnictogen compounds Organobromides Hydrocarbon derivatives Organic oxides Molecular Framework Aromatic heteropolycyclic compounds Substituents Aminoquinoline - Dihydroquinolone - Quinolone - Dihydroquinoline - Aminopyridine - Secondary aliphatic/aromatic amine - Aralkylamine - Aryl bromide - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Thiophene - Fluoroalkene - Azacycle - Haloalkene - Secondary aliphatic amine - Vinyl halide - Secondary amine - Vinyl fluoride - Organofluoride - Organobromide - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system. 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(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 450.400 g/mol XLogP3 5.200 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 8 Exact Mass 449.057 Da Monoisotopic Mass 449.057 Da Topological Polar Surface Area 81.400 Ų Heavy Atom Count 27 Formal Charge 0 Complexity 588.000 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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