![7-(4-{[(3,4-difluorobenzoyl)amino]carbonothioyl}-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid structure](/static/products/488/488093-92-1.png)
7-(4-{[(3,4-difluorobenzoyl)amino]carbonothioyl}-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
TL;DR: 7-(4-{[(3,4-difluorobenzoyl)amino]carbonothioyl}-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS 488093-92-1) is a chemical compound with molecular formula C24H21F3N4O4S and molecular weight 518.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[4-[(3,4-difluorobenzoyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Also Known As: 7-(4-{[(3,4-difluorobenzoyl)amino]carbonothioyl}-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid, 7-[4-[(3,4-difluorobenzoyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid, 7-(4-((3,4-difluorobenzoyl)carbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 7-(4-{[(3,4-difluorophenyl)carbonyl]carbamothioyl}piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 7-[4-[(3,4-difluorobenzoyl)thiocarbamoyl]piperazino]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylic acid
| Molecular Formula | C24H21F3N4O4S |
|---|---|
| Molecular Weight | 518.12 g/mol |
| LogP | 2.9738 |
| Topological Polar Surface Area | 94.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 518.12354 |
| Heavy Atoms | 36 |
| Complexity | 1451.5277 |
Chemical Identifiers
| CAS Number | 488093-92-1 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC(=C(C=C4)F)F)F)C(=O)O |
Product Overview
7-(4-{[(3,4-difluorobenzoyl)amino]carbonothioyl}-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid (CAS 488093-92-1), with molecular formula C24H21F3N4O4S and molecular weight 518.12 g/mol. IUPAC: 7-[4-[(3,4-difluorobenzoyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of 7-(4-{[(3,4-difluorobenzoyl)amino]carbonothioyl}-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
Property Insights of 7-(4-{[(3,4-difluorobenzoyl)amino]carbonothioyl}-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
The XLogP value of 2.9738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(4-{[(3,4-difluorobenzoyl)amino]carbonothioyl}-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid. The TPSA of 94.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-{[(3,4-difluorobenzoyl)amino]carbonothioyl}-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid. Following Lipinski's Rule of Five, 7-(4-{[(3,4-difluorobenzoyl)amino]carbonothioyl}-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-(4-{[(3,4-difluorobenzoyl)amino]carbonothioyl}-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid?
The CAS number of 7-(4-{[(3,4-difluorobenzoyl)amino]carbonothioyl}-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid is 488093-92-1.
What is the molecular formula of 7-(4-{[(3,4-difluorobenzoyl)amino]carbonothioyl}-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid?
The molecular formula of 7-(4-{[(3,4-difluorobenzoyl)amino]carbonothioyl}-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid is C24H21F3N4O4S.
What is the molecular weight of 7-(4-{[(3,4-difluorobenzoyl)amino]carbonothioyl}-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid?
The molecular weight of 7-(4-{[(3,4-difluorobenzoyl)amino]carbonothioyl}-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid is 518.12 g/mol.
Where can I buy 7-(4-{[(3,4-difluorobenzoyl)amino]carbonothioyl}-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid?
You can request a quote for 7-(4-{[(3,4-difluorobenzoyl)amino]carbonothioyl}-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-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 7-(4-{[(3,4-difluorobenzoyl)amino]carbonothioyl}-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-(4-{[(3,4-difluorobenzoyl)amino]carbonothioyl}-1-piperazinyl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.