KSC-13-97
TL;DR: KSC-13-97 (CAS 634175-36-3) is a chemical compound with molecular formula C24H22F4N4O3S and molecular weight 522.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-6-fluoro-4-oxo-7-[4-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid
Also Known As: KSC-13-97, A3255/0138355, 1-ethyl-6-fluoro-4-oxo-7-(4-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid, 1-ethyl-6-fluoro-4-oxo-7-(4-((3-(trifluoromethyl)phenyl)carbamothioyl)piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid, 1-ETHYL-6-FLUORO-4-OXO-7-(4-{[3-(TRIFLUOROMETHYL)ANILINO]CARBOTHIOYL}PIPERAZINO)-1,4-DIHYDRO-3-QUINOLINECARBOXYLIC ACID
| Molecular Formula | C24H22F4N4O3S |
|---|---|
| Molecular Weight | 522.13 g/mol |
| LogP | 4.3965 |
| Topological Polar Surface Area | 77.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 522.1349 |
| Heavy Atoms | 36 |
| Complexity | 1398.5977 |
Chemical Identifiers
| CAS Number | 634175-36-3 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC=CC(=C4)C(F)(F)F)F)C(=O)O |
Product Overview
KSC-13-97 (CAS 634175-36-3), with molecular formula C24H22F4N4O3S and molecular weight 522.13 g/mol. IUPAC: 1-ethyl-6-fluoro-4-oxo-7-[4-[[3-(trifluoromethyl)phenyl]carbamothioyl]piperazin-1-yl]quinoline-3-carboxylic acid.
Chemical Property Profile of KSC-13-97
Property Insights of KSC-13-97
The XLogP value of 4.3965 indicates that KSC-13-97 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-13-97. Following Lipinski's Rule of Five, KSC-13-97 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 KSC-13-97?
The CAS number of KSC-13-97 is 634175-36-3.
What is the molecular formula of KSC-13-97?
The molecular formula of KSC-13-97 is C24H22F4N4O3S.
What is the molecular weight of KSC-13-97?
The molecular weight of KSC-13-97 is 522.13 g/mol.
Where can I buy KSC-13-97?
You can request a quote for KSC-13-97 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KSC-13-97?
Yes, KEHONG BIO provides custom synthesis services for KSC-13-97 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.