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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items 1-(2-Cyclopropylethyl)-3-(1,1-Dioxido-2h-1,2,4-Benzothiadiazin-3-Yl)-6-Fluoro-4-Hydroxyquinolin-2(1h)-One , CAS No.477931-14-9
Synonyms
1-(2-Cyclopropylethyl)-3-(1,1-Dioxido-2h-1,2,4-Benzothiadiazin-3-Yl)-6-Fluoro-4-Hydroxyquinolin-2(1h)-One | 2(1H)-QUINOLINONE, 1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BENZOTHIADIAZIN-3-YL)-6-FLUORO-4-HYDROXY- | 1-(2-cyclopropylethyl)-3-(1,1-dioxido
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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 Sinónimos
1-(2-Cyclopropylethyl)-3-(1, 1-Dioxido-2h-1, 2, 4-Benzothiadiazin-3-Yl)-6-Fluoro-4-Hydroxyquinolin-2(1h)-One | 2(1H)-QUINOLINONE, 1-(2-CYCLOPROPYLETHYL)-3-(1, 1-DIOXIDO-2H-1, 2, 4-BENZOTHIADIAZIN-3-YL)-6-FLUORO-4-HYDROXY- | 1-(2-cyclopropylethyl)-3-(1, 1-dioxido
Condiciones de almacenamiento de almacenamiento
Room temperature
Propiedades del producto Nombres e identificadores Sonrisas canónicas C1CC1CCN2C3=C(C=C(C=C3)F)C(=C(C2=O)C4=NS(=O)(=O)C5=CC=CC=C5N4)O IUPAC Name 1-(2-cyclopropylethyl)-3-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)-6-fluoro-4-hydroxyquinolin-2-one InChIKey QEMCDXCXSVPAAB-UHFFFAOYSA-N INCHI 1S/C21H18FN3O4S/c22-13-7-8-16-14(11-13)19(26)18(21(27)25(16)10-9-12-5-6-12)20-23-15-3-1-2-4-17(15)30(28,29)24-20/h1-4,7-8,11-12,26H,5-6,9-10H2,(H,23,24) Isómeros SMILES C1CC1CCN2C3=C(C=C(C=C3)F)C(=C(C2=O)C4=NS(=O)(=O)C5=CC=CC=C5N4)O Peso molecular 427.5 Reaxy-Rn 10390771 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10390771&ln=
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 Clase Quinolines and derivatives Subclass Quinolones and derivatives Intermediate Tree Nodes Not available Direct Parent Fluoroquinolones Alternative Parents 1,2,4-benzothiadiazine-1,1-dioxides Haloquinolines Hydroquinolones Hydroxyquinolines Hydroquinolines Pyridinones Hydroxypyridines Benzenoids Imidolactams Aryl fluorides Organosulfonic acids and derivatives Vinylogous acids Heteroaromatic compounds Lactams Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Amidines Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organofluorides Organooxygen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Fluoroquinolone - 1,2,4-benzothiadiazine-1,1-dioxide - Haloquinoline - Dihydroquinolone - Hydroxyquinoline - Benzothiadiazine - Dihydroquinoline - Hydroxypyridine - Pyridinone - Aryl fluoride - Aryl halide - Pyridine - Imidolactam - Benzenoid - Heteroaromatic compound - Vinylogous acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Lactam - Azacycle - Amidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound Descripción This compound belongs to the class of organic compounds known as fluoroquinolones. These are compounds containing a fluorine atom attached to a quinolone. Quinolone or benzo[b]pyridine is a bicyclic compound that consists of benzene fused to a pyridine, and bears a ketone 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.
Estructura 3D Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 427.500 g/mol XLogP3 2.800 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 4 Exact Mass 427.1 Da Monoisotopic Mass 427.1 Da Topological Polar Surface Area 107.000 Ų Heavy Atom Count 30 Formal Charge 0 Complexity 892.000 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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