KSC-13-90
TL;DR: KSC-13-90 (CAS 697239-66-0) is a chemical compound with molecular formula C23H22F2N4O3S and molecular weight 472.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-6-fluoro-7-[4-[(2-fluorophenyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
Also Known As: KSC-13-90, AO-022/43453314, A3634/0154196, 1-ethyl-6-fluoro-7-{4-[(2-fluoroanilino)carbothioyl]-1-piperazinyl}-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid, 1-ethyl-6-fluoro-7-[4-[(2-fluorophenyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
| Molecular Formula | C23H22F2N4O3S |
|---|---|
| Molecular Weight | 472.14 g/mol |
| LogP | 3.5168 |
| Topological Polar Surface Area | 77.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 472.13806 |
| Heavy Atoms | 33 |
| Complexity | 1302.8416 |
Chemical Identifiers
| CAS Number | 697239-66-0 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=S)NC4=CC=CC=C4F)F)C(=O)O |
Product Overview
KSC-13-90 (CAS 697239-66-0), with molecular formula C23H22F2N4O3S and molecular weight 472.14 g/mol. IUPAC: 1-ethyl-6-fluoro-7-[4-[(2-fluorophenyl)carbamothioyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of KSC-13-90
Property Insights of KSC-13-90
The XLogP value of 3.5168 indicates that KSC-13-90 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-13-90. Following Lipinski's Rule of Five, KSC-13-90 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-13-90?
The CAS number of KSC-13-90 is 697239-66-0.
What is the molecular formula of KSC-13-90?
The molecular formula of KSC-13-90 is C23H22F2N4O3S.
What is the molecular weight of KSC-13-90?
The molecular weight of KSC-13-90 is 472.14 g/mol.
Where can I buy KSC-13-90?
You can request a quote for KSC-13-90 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KSC-13-90?
Yes, KEHONG BIO provides custom synthesis services for KSC-13-90 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.