![1-Ethyl-6-fluoro-7-[4-(3-fluoro-benzoylaminocarbothioyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-c arboxylic acid structure](/static/products/489/489462-87-5.png)
1-Ethyl-6-fluoro-7-[4-(3-fluoro-benzoylaminocarbothioyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-c arboxylic acid
TL;DR: 1-Ethyl-6-fluoro-7-[4-(3-fluoro-benzoylaminocarbothioyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-c arboxylic acid (CAS 489462-87-5) is a chemical compound with molecular formula C24H22F2N4O4S and molecular weight 500.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-6-fluoro-7-[4-[(3-fluorobenzoyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
Also Known As: 1-Ethyl-6-fluoro-7-[4-(3-fluoro-benzoylaminocarbothioyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-c arboxylic acid, 1-ethyl-6-fluoro-7-[4-[(3-fluorobenzoyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid, 1-ethyl-6-fluoranyl-7-[4-[(3-fluorophenyl)carbonylcarbamothioyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid, 1-ethyl-6-fluoro-7-(4-((3-fluorobenzoyl)carbamothioyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1-ethyl-6-fluoro-7-(4-{[(3-fluorophenyl)carbonyl]carbamothioyl}piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
| Molecular Formula | C24H22F2N4O4S |
|---|---|
| Molecular Weight | 500.13 g/mol |
| LogP | 2.8347 |
| Topological Polar Surface Area | 94.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 500.133 |
| Heavy Atoms | 35 |
| Complexity | 1400.2699 |
Chemical Identifiers
| CAS Number | 489462-87-5 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC(=O)C4=CC(=CC=C4)F)F)C(=O)O |
Product Overview
1-Ethyl-6-fluoro-7-[4-(3-fluoro-benzoylaminocarbothioyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-c arboxylic acid (CAS 489462-87-5), with molecular formula C24H22F2N4O4S and molecular weight 500.13 g/mol. IUPAC: 1-ethyl-6-fluoro-7-[4-[(3-fluorobenzoyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of 1-Ethyl-6-fluoro-7-[4-(3-fluoro-benzoylaminocarbothioyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-c arboxylic acid
Property Insights of 1-Ethyl-6-fluoro-7-[4-(3-fluoro-benzoylaminocarbothioyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-c arboxylic acid
The XLogP value of 2.8347 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-6-fluoro-7-[4-(3-fluoro-benzoylaminocarbothioyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-c arboxylic acid. The TPSA of 94.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethyl-6-fluoro-7-[4-(3-fluoro-benzoylaminocarbothioyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-c arboxylic acid. Following Lipinski's Rule of Five, 1-Ethyl-6-fluoro-7-[4-(3-fluoro-benzoylaminocarbothioyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-c arboxylic 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 1-Ethyl-6-fluoro-7-[4-(3-fluoro-benzoylaminocarbothioyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-c arboxylic acid?
The CAS number of 1-Ethyl-6-fluoro-7-[4-(3-fluoro-benzoylaminocarbothioyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-c arboxylic acid is 489462-87-5.
What is the molecular formula of 1-Ethyl-6-fluoro-7-[4-(3-fluoro-benzoylaminocarbothioyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-c arboxylic acid?
The molecular formula of 1-Ethyl-6-fluoro-7-[4-(3-fluoro-benzoylaminocarbothioyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-c arboxylic acid is C24H22F2N4O4S.
What is the molecular weight of 1-Ethyl-6-fluoro-7-[4-(3-fluoro-benzoylaminocarbothioyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-c arboxylic acid?
The molecular weight of 1-Ethyl-6-fluoro-7-[4-(3-fluoro-benzoylaminocarbothioyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-c arboxylic acid is 500.13 g/mol.
Where can I buy 1-Ethyl-6-fluoro-7-[4-(3-fluoro-benzoylaminocarbothioyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-c arboxylic acid?
You can request a quote for 1-Ethyl-6-fluoro-7-[4-(3-fluoro-benzoylaminocarbothioyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-c arboxylic 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-(3-fluoro-benzoylaminocarbothioyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-c arboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-6-fluoro-7-[4-(3-fluoro-benzoylaminocarbothioyl)-piperazin-1-yl]-4-oxo-1,4-dihydro-quinoline-3-c arboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.