![1-ethyl-6-fluoro-7-(4-{[4-(methoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid structure](/static/products/4880/488093-68-1.webp)
1-ethyl-6-fluoro-7-(4-{[4-(methoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
TL;DR: 1-ethyl-6-fluoro-7-(4-{[4-(methoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 488093-68-1) is a chemical compound with molecular formula C25H25FN4O5S and molecular weight 512.15 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-methoxycarbonylphenyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
Also Known As: 1-ethyl-6-fluoro-7-(4-{[4-(methoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1-ethyl-6-fluoro-7-[4-[(4-methoxycarbonylphenyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid, 1-ethyl-6-fluoro-7-(4-((4-(methoxycarbonyl)phenyl)carbamothioyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
| Molecular Formula | C25H25FN4O5S |
|---|---|
| Molecular Weight | 512.15 g/mol |
| LogP | 3.1643 |
| Topological Polar Surface Area | 104.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 512.15295 |
| Heavy Atoms | 36 |
| Complexity | 1398.3103 |
Chemical Identifiers
| CAS Number | 488093-68-1 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)C(=O)OC)F)C(=O)O |
Product Overview
1-ethyl-6-fluoro-7-(4-{[4-(methoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 488093-68-1), with molecular formula C25H25FN4O5S and molecular weight 512.15 g/mol. IUPAC: 1-ethyl-6-fluoro-7-[4-[(4-methoxycarbonylphenyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of 1-ethyl-6-fluoro-7-(4-{[4-(methoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Property Insights of 1-ethyl-6-fluoro-7-(4-{[4-(methoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
The XLogP value of 3.1643 indicates that 1-ethyl-6-fluoro-7-(4-{[4-(methoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-ethyl-6-fluoro-7-(4-{[4-(methoxycarbonyl)phenyl]carbamothioyl}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)phenyl]carbamothioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid has 2 hydrogen bond donor(s) and 6 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)phenyl]carbamothioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The CAS number of 1-ethyl-6-fluoro-7-(4-{[4-(methoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is 488093-68-1.
What is the molecular formula of 1-ethyl-6-fluoro-7-(4-{[4-(methoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The molecular formula of 1-ethyl-6-fluoro-7-(4-{[4-(methoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is C25H25FN4O5S.
What is the molecular weight of 1-ethyl-6-fluoro-7-(4-{[4-(methoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The molecular weight of 1-ethyl-6-fluoro-7-(4-{[4-(methoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is 512.15 g/mol.
Where can I buy 1-ethyl-6-fluoro-7-(4-{[4-(methoxycarbonyl)phenyl]carbamothioyl}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)phenyl]carbamothioyl}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)phenyl]carbamothioyl}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)phenyl]carbamothioyl}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.