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dfsx-2 - 97%, high purity , CAS No.442526-91-2
Discover dfsx-2 by Aladdin Scientific in 97% for only $975.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Quinolones and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Fluoroquinolones
Alternative Parents
Aminoquinolines and derivatives Hydroquinolones Haloquinolines Hydroquinolines Pyridinecarboxylic acids Polyhalopyridines Dialkylarylamines Aminopyridines and derivatives Aryl fluorides Benzenoids Imidolactams Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Azetidines Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Primary amines Organic oxides Carbonyl compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Fluoroquinolone - Dihydroquinolone - Haloquinoline - Aminoquinoline - Dihydroquinoline - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Polyhalopyridine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyridine - Aryl fluoride - Aryl halide - Pyridine - Imidolactam - Benzenoid - Vinylogous amide - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Azetidine - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Primary amine - Amine - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
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.
Names and Identifiers
IUPAC Name
ethyl 1-(6-amino-3,5-difluoropyridin-2-yl)-6-fluoro-7-[3-(2-methylpropanoyloxy)azetidin-1-yl]-4-oxoquinoline-3-carboxylate
INCHI
InChI=1S/C24H23F3N4O5/c1-4-35-24(34)14-10-31(22-17(27)6-16(26)21(28)29-22)18-7-19(15(25)5-13(18)20(14)32)30-8-12(9-30)36-23(33)11(2)3/h5-7,10-12H,4,8-9H2,1-3H3,(H2,28,29)
InChIKey
VMXLACIKUJJQTC-UHFFFAOYSA-N
Smiles
CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CC(C3)OC(=O)C(C)C)C4=C(C=C(C(=N4)N)F)F
Isomeric SMILES
CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CC(C3)OC(=O)C(C)C)C4=C(C=C(C(=N4)N)F)F
Molecular Weight
504.466
Reaxy-Rn
14529317
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14529317&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
504.500 g/mol
XLogP3
3.800
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
12
Rotatable Bond Count
8
Exact Mass
504.162 Da
Monoisotopic Mass
504.162 Da
Topological Polar Surface Area
115.000 Ų
Heavy Atom Count
36
Formal Charge
0
Complexity
899.000
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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