Ethyl 6-fluoro-1-methyl-4-oxo-7-(piperazin-1-yl)-1,4-dihydro-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate - ≥95% , CAS No.113028-17-4

CAS: 113028-17-4 Cat. No.: E710626 Peso molecular: 377.44 PubChem CID: 10249018
Disponible para pedir
GRADE & PURITY ≥95%
Storage
Room temperature
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Estado
Price
Qty
250mg
E710626-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

9,90US$

14,90US$
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1g
E710626-1g
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21,90US$

32,90US$
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5g
E710626-5g
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73,90US$

110,90US$
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Why this grade

≥95% 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

Especificaciones y pureza
≥95%
Condiciones de almacenamiento de almacenamiento
Room temperature
Pureza
≥95%
Nombres e identificadores
Sonrisas canónicasCCOC(=O)C1=C2N(C(S2)C)C3=CC(=C(C=C3C1=O)F)N4CCNCC4
IUPAC Nameethyl 6-fluoro-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
InChIKeyXWZXETKTFKCCPB-UHFFFAOYSA-N
INCHI1S/C18H20FN3O3S/c1-3-25-18(24)15-16(23)11-8-12(19)14(21-6-4-20-5-7-21)9-13(11)22-10(2)26-17(15)22/h8-10,20H,3-7H2,1-2H3
Isómeros SMILES CCOC(=O)C1=C2N(C(S2)C)C3=CC(=C(C=C3C1=O)F)N4CCNCC4
PubChem CID 10249018
Peso molecular 377.44

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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClaseQuinolines and derivatives
SubclassQuinolones and derivatives
Intermediate Tree Nodes Not available
Direct ParentFluoroquinolones
Alternative Parents N-arylpiperazines  Aminoquinolines and derivatives  Hydroquinolones  Haloquinolines  Hydroquinolines  Pyridinecarboxylic acids  Dialkylarylamines  Alkylarylthioethers  Vinylogous thioesters  Aryl fluorides  Benzenoids  Vinylogous amides  Heteroaromatic compounds  Carboxylic acid esters  Amino acids and derivatives  Dialkylamines  Azacyclic compounds  Organic oxides  Organofluorides  Organooxygen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Fluoroquinolone - N-arylpiperazine - Aminoquinoline - Haloquinoline - Dihydroquinolone - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Aryl thioether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Alkylarylthioether - Aryl fluoride - Aryl halide - 1,4-diazinane - Piperazine - Pyridine - Vinylogous thioester - Benzenoid - Heteroaromatic compound - Vinylogous amide - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Thioether - Secondary amine - Secondary aliphatic amine - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Amine - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular377.400 g/mol
XLogP32.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass377.121 Da
Monoisotopic Mass377.121 Da
Topological Polar Surface Area87.200 Ų
Heavy Atom Count26
Formal Charge0
Complexity637.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluciones
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