![7-[4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid structure](/static/products/4992/499210-40-1.webp)
7-[4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
TL;DR: 7-[4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (CAS 499210-40-1) is a chemical compound with molecular formula C25H27FN4O5S and molecular weight 514.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Also Known As: 7-[4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid, 7-{4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 7-(4-((2,5-dimethoxyphenyl)carbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
| Molecular Formula | C25H27FN4O5S |
|---|---|
| Molecular Weight | 514.17 g/mol |
| LogP | 3.3949 |
| Topological Polar Surface Area | 96.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 514.16864 |
| Heavy Atoms | 36 |
| Complexity | 1385.1027 |
Chemical Identifiers
| CAS Number | 499210-40-1 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=C(C=CC(=C4)OC)OC)F)C(=O)O |
Product Overview
7-[4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid (CAS 499210-40-1), with molecular formula C25H27FN4O5S and molecular weight 514.17 g/mol. IUPAC: 7-[4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of 7-[4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Property Insights of 7-[4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
The XLogP value of 3.3949 indicates that 7-[4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-[4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid. Following Lipinski's Rule of Five, 7-[4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-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 7-[4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The CAS number of 7-[4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is 499210-40-1.
What is the molecular formula of 7-[4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The molecular formula of 7-[4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is C25H27FN4O5S.
What is the molecular weight of 7-[4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
The molecular weight of 7-[4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid is 514.17 g/mol.
Where can I buy 7-[4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
You can request a quote for 7-[4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-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 7-[4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 7-[4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.