![1-cyclopropyl-6-fluoro-7-[4-[(4-fluorophenyl)carbamothioyl]-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid structure](/static/products/7142/714291-18-6.webp)
1-cyclopropyl-6-fluoro-7-[4-[(4-fluorophenyl)carbamothioyl]-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
TL;DR: 1-cyclopropyl-6-fluoro-7-[4-[(4-fluorophenyl)carbamothioyl]-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid (CAS 714291-18-6) is a chemical compound with molecular formula C26H26F2N4O4S and molecular weight 528.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclopropyl-6-fluoro-7-[4-[(4-fluorophenyl)carbamothioyl]-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
Also Known As: 1-cyclopropyl-6-fluoro-7-[4-[(4-fluorophenyl)carbamothioyl]-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid, A4088/0174276, 1-cyclopropyl-6-fluoro-7-(4-((4-fluorophenyl)carbamothioyl)-3-methylpiperazin-1-yl)-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1-Cyclopropyl-6-fluoro-7-[4-(4-fluoro-phenylthiocarbamoyl)-3-methyl-piperazin-1-yl]-8-methoxy-4-oxo-1, 4-dihydro-quinoline-3-carboxylic acid, 1-CYCLOPROPYL-6-FLUORO-7-{4-[(4-FLUOROANILINO)CARBOTHIOYL]-3-METHYLPIPERAZINO}-8-METHOXY-4-OXO-1,4-DIHYDRO-3-QUINOLINECARBOXYLIC ACID
| Molecular Formula | C26H26F2N4O4S |
|---|---|
| Molecular Weight | 528.16 g/mol |
| LogP | 4.2289 |
| Topological Polar Surface Area | 87.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 528.1643 |
| Heavy Atoms | 37 |
| Complexity | 1455.9376 |
Chemical Identifiers
| CAS Number | 714291-18-6 |
|---|---|
| SMILES | CC1CN(CCN1C(=S)NC2=CC=C(C=C2)F)C3=C(C=C4C(=C3OC)N(C=C(C4=O)C(=O)O)C5CC5)F |
Product Overview
1-cyclopropyl-6-fluoro-7-[4-[(4-fluorophenyl)carbamothioyl]-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid (CAS 714291-18-6), with molecular formula C26H26F2N4O4S and molecular weight 528.16 g/mol. IUPAC: 1-cyclopropyl-6-fluoro-7-[4-[(4-fluorophenyl)carbamothioyl]-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of 1-cyclopropyl-6-fluoro-7-[4-[(4-fluorophenyl)carbamothioyl]-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
Property Insights of 1-cyclopropyl-6-fluoro-7-[4-[(4-fluorophenyl)carbamothioyl]-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid
The XLogP value of 4.2289 indicates that 1-cyclopropyl-6-fluoro-7-[4-[(4-fluorophenyl)carbamothioyl]-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic 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-cyclopropyl-6-fluoro-7-[4-[(4-fluorophenyl)carbamothioyl]-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid. Following Lipinski's Rule of Five, 1-cyclopropyl-6-fluoro-7-[4-[(4-fluorophenyl)carbamothioyl]-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic 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-cyclopropyl-6-fluoro-7-[4-[(4-fluorophenyl)carbamothioyl]-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid?
The CAS number of 1-cyclopropyl-6-fluoro-7-[4-[(4-fluorophenyl)carbamothioyl]-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid is 714291-18-6.
What is the molecular formula of 1-cyclopropyl-6-fluoro-7-[4-[(4-fluorophenyl)carbamothioyl]-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid?
The molecular formula of 1-cyclopropyl-6-fluoro-7-[4-[(4-fluorophenyl)carbamothioyl]-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid is C26H26F2N4O4S.
What is the molecular weight of 1-cyclopropyl-6-fluoro-7-[4-[(4-fluorophenyl)carbamothioyl]-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid?
The molecular weight of 1-cyclopropyl-6-fluoro-7-[4-[(4-fluorophenyl)carbamothioyl]-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid is 528.16 g/mol.
Where can I buy 1-cyclopropyl-6-fluoro-7-[4-[(4-fluorophenyl)carbamothioyl]-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid?
You can request a quote for 1-cyclopropyl-6-fluoro-7-[4-[(4-fluorophenyl)carbamothioyl]-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-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-cyclopropyl-6-fluoro-7-[4-[(4-fluorophenyl)carbamothioyl]-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-cyclopropyl-6-fluoro-7-[4-[(4-fluorophenyl)carbamothioyl]-3-methylpiperazin-1-yl]-8-methoxy-4-oxoquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.