KSC-13-49
TL;DR: KSC-13-49 (CAS 497863-86-2) is a chemical compound with molecular formula C23H22ClFN4O3S and molecular weight 488.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[4-[(2-chlorophenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Also Known As: KSC-13-49, 7-{4-[(2-chlorophenyl)carbamothioyl]piperazin-1-yl}-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 7-(4-((2-chlorophenyl)carbamothioyl)piperazin-1-yl)-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 7-[4-[(2-chlorophenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
| Molecular Formula | C23H22ClFN4O3S |
|---|---|
| Molecular Weight | 488.11 g/mol |
| LogP | 4.0311 |
| Topological Polar Surface Area | 77.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 488.10852 |
| Heavy Atoms | 33 |
| Complexity | 1304.8416 |
Chemical Identifiers
| CAS Number | 497863-86-2 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC=CC=C4Cl)F)C(=O)O |
Product Overview
KSC-13-49 (CAS 497863-86-2), with molecular formula C23H22ClFN4O3S and molecular weight 488.11 g/mol. IUPAC: 7-[4-[(2-chlorophenyl)carbamothioyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of KSC-13-49
Property Insights of KSC-13-49
The XLogP value of 4.0311 indicates that KSC-13-49 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 KSC-13-49. Following Lipinski's Rule of Five, KSC-13-49 has 2 hydrogen bond donor(s) and 4 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 KSC-13-49?
The CAS number of KSC-13-49 is 497863-86-2.
What is the molecular formula of KSC-13-49?
The molecular formula of KSC-13-49 is C23H22ClFN4O3S.
What is the molecular weight of KSC-13-49?
The molecular weight of KSC-13-49 is 488.11 g/mol.
Where can I buy KSC-13-49?
You can request a quote for KSC-13-49 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KSC-13-49?
Yes, KEHONG BIO provides custom synthesis services for KSC-13-49 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.