1-ethyl-6-fluoro-7-(4-((4-((methoxycarbonyl)amino)phenyl)sulfonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
TL;DR: 1-ethyl-6-fluoro-7-(4-((4-((methoxycarbonyl)amino)phenyl)sulfonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 384349-45-5) is a chemical compound with molecular formula C24H25FN4O7S and molecular weight 532.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-6-fluoro-7-[4-[4-(methoxycarbonylamino)phenyl]sulfonylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
Also Known As: 1-ethyl-6-fluoro-7-(4-((4-((methoxycarbonyl)amino)phenyl)sulfonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1-ethyl-6-fluoro-7-[4-({4-[(methoxycarbonyl)amino]phenyl}sulfonyl)piperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1-Ethyl-6-fluoro-7-[4-(4-methoxycarbonylamino-benzenesulfonyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid, 1-ethyl-6-fluoro-7-[4-[4-(methoxycarbonylamino)phenyl]sulfonylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
| Molecular Formula | C24H25FN4O7S |
|---|---|
| Molecular Weight | 532.14 g/mol |
| LogP | 2.5479 |
| Topological Polar Surface Area | 138.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 532.1428 |
| Heavy Atoms | 37 |
| Complexity | 1529.4232 |
Chemical Identifiers
| CAS Number | 384349-45-5 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)OC)F)C(=O)O |
Product Overview
1-ethyl-6-fluoro-7-(4-((4-((methoxycarbonyl)amino)phenyl)sulfonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 384349-45-5), with molecular formula C24H25FN4O7S and molecular weight 532.14 g/mol. IUPAC: 1-ethyl-6-fluoro-7-[4-[4-(methoxycarbonylamino)phenyl]sulfonylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of 1-ethyl-6-fluoro-7-(4-((4-((methoxycarbonyl)amino)phenyl)sulfonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Property Insights of 1-ethyl-6-fluoro-7-(4-((4-((methoxycarbonyl)amino)phenyl)sulfonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
The XLogP value of 2.5479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-ethyl-6-fluoro-7-(4-((4-((methoxycarbonyl)amino)phenyl)sulfonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid. The TPSA of 138.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-ethyl-6-fluoro-7-(4-((4-((methoxycarbonyl)amino)phenyl)sulfonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid. Following Lipinski's Rule of Five, 1-ethyl-6-fluoro-7-(4-((4-((methoxycarbonyl)amino)phenyl)sulfonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-ethyl-6-fluoro-7-(4-((4-((methoxycarbonyl)amino)phenyl)sulfonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The CAS number of 1-ethyl-6-fluoro-7-(4-((4-((methoxycarbonyl)amino)phenyl)sulfonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is 384349-45-5.
What is the molecular formula of 1-ethyl-6-fluoro-7-(4-((4-((methoxycarbonyl)amino)phenyl)sulfonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The molecular formula of 1-ethyl-6-fluoro-7-(4-((4-((methoxycarbonyl)amino)phenyl)sulfonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is C24H25FN4O7S.
What is the molecular weight of 1-ethyl-6-fluoro-7-(4-((4-((methoxycarbonyl)amino)phenyl)sulfonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The molecular weight of 1-ethyl-6-fluoro-7-(4-((4-((methoxycarbonyl)amino)phenyl)sulfonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is 532.14 g/mol.
Where can I buy 1-ethyl-6-fluoro-7-(4-((4-((methoxycarbonyl)amino)phenyl)sulfonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
You can request a quote for 1-ethyl-6-fluoro-7-(4-((4-((methoxycarbonyl)amino)phenyl)sulfonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-ethyl-6-fluoro-7-(4-((4-((methoxycarbonyl)amino)phenyl)sulfonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-ethyl-6-fluoro-7-(4-((4-((methoxycarbonyl)amino)phenyl)sulfonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.