![1-Ethyl-6-fluoro-7-[4-(4-methoxy-phenylthiocarbamoyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-car boxylic acid structure](/static/products/487/487038-72-2.png)
1-Ethyl-6-fluoro-7-[4-(4-methoxy-phenylthiocarbamoyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-car boxylic acid
TL;DR: 1-Ethyl-6-fluoro-7-[4-(4-methoxy-phenylthiocarbamoyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-car boxylic acid (CAS 487038-72-2) is a chemical compound with molecular formula C24H25FN4O4S and molecular weight 484.16 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-methoxyphenyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
Also Known As: 1-Ethyl-6-fluoro-7-[4-(4-methoxy-phenylthiocarbamoyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-car boxylic acid, 1-ethyl-6-fluoro-7-[4-[(4-methoxyphenyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid, 1-ethyl-6-fluoranyl-7-[4-[(4-methoxyphenyl)carbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid, 1-ethyl-6-fluoro-4-keto-7-[4-[(4-methoxyphenyl)thiocarbamoyl]piperazino]quinoline-3-carboxylic acid, 1-ethyl-6-fluoro-7-(4-((4-methoxyphenyl)carbamothioyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
| Molecular Formula | C24H25FN4O4S |
|---|---|
| Molecular Weight | 484.16 g/mol |
| LogP | 3.3863 |
| Topological Polar Surface Area | 87.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 484.15805 |
| Heavy Atoms | 34 |
| Complexity | 1301.0562 |
Chemical Identifiers
| CAS Number | 487038-72-2 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC=C(C=C4)OC)F)C(=O)O |
Product Overview
1-Ethyl-6-fluoro-7-[4-(4-methoxy-phenylthiocarbamoyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-car boxylic acid (CAS 487038-72-2), with molecular formula C24H25FN4O4S and molecular weight 484.16 g/mol. IUPAC: 1-ethyl-6-fluoro-7-[4-[(4-methoxyphenyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of 1-Ethyl-6-fluoro-7-[4-(4-methoxy-phenylthiocarbamoyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-car boxylic acid
Property Insights of 1-Ethyl-6-fluoro-7-[4-(4-methoxy-phenylthiocarbamoyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-car boxylic acid
The XLogP value of 3.3863 indicates that 1-Ethyl-6-fluoro-7-[4-(4-methoxy-phenylthiocarbamoyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-car boxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethyl-6-fluoro-7-[4-(4-methoxy-phenylthiocarbamoyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-car boxylic acid. Following Lipinski's Rule of Five, 1-Ethyl-6-fluoro-7-[4-(4-methoxy-phenylthiocarbamoyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-car boxylic acid has 2 hydrogen bond donor(s) and 5 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-Ethyl-6-fluoro-7-[4-(4-methoxy-phenylthiocarbamoyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-car boxylic acid?
The CAS number of 1-Ethyl-6-fluoro-7-[4-(4-methoxy-phenylthiocarbamoyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-car boxylic acid is 487038-72-2.
What is the molecular formula of 1-Ethyl-6-fluoro-7-[4-(4-methoxy-phenylthiocarbamoyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-car boxylic acid?
The molecular formula of 1-Ethyl-6-fluoro-7-[4-(4-methoxy-phenylthiocarbamoyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-car boxylic acid is C24H25FN4O4S.
What is the molecular weight of 1-Ethyl-6-fluoro-7-[4-(4-methoxy-phenylthiocarbamoyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-car boxylic acid?
The molecular weight of 1-Ethyl-6-fluoro-7-[4-(4-methoxy-phenylthiocarbamoyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-car boxylic acid is 484.16 g/mol.
Where can I buy 1-Ethyl-6-fluoro-7-[4-(4-methoxy-phenylthiocarbamoyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-car boxylic acid?
You can request a quote for 1-Ethyl-6-fluoro-7-[4-(4-methoxy-phenylthiocarbamoyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-car boxylic 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-methoxy-phenylthiocarbamoyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-car boxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-6-fluoro-7-[4-(4-methoxy-phenylthiocarbamoyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-car boxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.