1-(2,4-Difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid
TL;DR: 1-(2,4-Difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid (CAS 125290-60-0) is a chemical compound with molecular formula C22H20F3N3O3 and molecular weight 431.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Also Known As: 1-(2,4-Difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid, 1-(2,4-Difluorophenyl)-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid, 3-Quinolinecarboxylicacid,1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-, 1-(2,4-Difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-4-oxo-7-(3-methyl-1-piperazinyl)quinoline-3-carboxylic acid
| Molecular Formula | C22H20F3N3O3 |
|---|---|
| Molecular Weight | 431.15 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 431.1457 |
| Heavy Atoms | 31 |
| Complexity | 751.0 |
Chemical Identifiers
| CAS Number | 125290-60-0 |
|---|---|
| SMILES | CC1CN(CCN1)C2=C(C(=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)F)C)F |
| InChIKey | XZNQOBYNPFMFPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2,4-Difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid (CAS 125290-60-0), with molecular formula C22H20F3N3O3 and molecular weight 431.15 g/mol. IUPAC: 1-(2,4-difluorophenyl)-6-fluoro-5-methyl-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of 1-(2,4-Difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid
Property Insights of 1-(2,4-Difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,4-Difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,4-Difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid. Following Lipinski's Rule of Five, 1-(2,4-Difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2,4-Difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid?
The CAS number of 1-(2,4-Difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid is 125290-60-0.
What is the molecular formula of 1-(2,4-Difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid?
The molecular formula of 1-(2,4-Difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid is C22H20F3N3O3.
What is the molecular weight of 1-(2,4-Difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid?
The molecular weight of 1-(2,4-Difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid is 431.15 g/mol.
Where can I buy 1-(2,4-Difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid?
You can request a quote for 1-(2,4-Difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-Difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-Difluorophenyl)-6-fluoro-1,4-dihydro-5-methyl-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.