![7-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid structure](/static/products/489/489463-07-2.png)
7-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
TL;DR: 7-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 489463-07-2) is a chemical compound with molecular formula C24H24BrFN4O3S and molecular weight 546.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Also Known As: 7-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 7-(4-((2-bromo-4-methylphenyl)carbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 7-[4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
| Molecular Formula | C24H24BrFN4O3S |
|---|---|
| Molecular Weight | 546.07 g/mol |
| LogP | 4.44862 |
| Topological Polar Surface Area | 77.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 546.07367 |
| Heavy Atoms | 34 |
| Complexity | 1352.278 |
Chemical Identifiers
| CAS Number | 489463-07-2 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=C(C=C(C=C4)C)Br)F)C(=O)O |
Product Overview
7-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 489463-07-2), with molecular formula C24H24BrFN4O3S and molecular weight 546.07 g/mol. IUPAC: 7-[4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of 7-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Property Insights of 7-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
The XLogP value of 4.44862 indicates that 7-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid. Following Lipinski's Rule of Five, 7-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The CAS number of 7-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is 489463-07-2.
What is the molecular formula of 7-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The molecular formula of 7-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is C24H24BrFN4O3S.
What is the molecular weight of 7-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The molecular weight of 7-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is 546.07 g/mol.
Where can I buy 7-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
You can request a quote for 7-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-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 7-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.