ksc-8-31
TL;DR: ksc-8-31 (CAS 599150-73-9) is a chemical compound with molecular formula C21H26N2O4S2 and molecular weight 434.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate
Also Known As: ksc-8-31, ksc-8-31-100629, ksc-8-31-110428, KUC104262N-2, KUC104262N-02
| Molecular Formula | C21H26N2O4S2 |
|---|---|
| Molecular Weight | 434.13 g/mol |
| LogP | 4.53842 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 434.1334 |
| Heavy Atoms | 29 |
| Complexity | 867.6282 |
Chemical Identifiers
| CAS Number | 599150-73-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2CCCCC2)NC(=O)CC3=CC=CS3 |
Product Overview
ksc-8-31 (CAS 599150-73-9), with molecular formula C21H26N2O4S2 and molecular weight 434.13 g/mol. IUPAC: ethyl 5-(cyclohexylcarbamoyl)-4-methyl-2-[(2-thiophen-2-ylacetyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of ksc-8-31
Property Insights of ksc-8-31
The XLogP value of 4.53842 indicates that ksc-8-31 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ksc-8-31. Following Lipinski's Rule of Five, ksc-8-31 has 2 hydrogen bond donor(s) and 6 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-8-31?
The CAS number of ksc-8-31 is 599150-73-9.
What is the molecular formula of ksc-8-31?
The molecular formula of ksc-8-31 is C21H26N2O4S2.
What is the molecular weight of ksc-8-31?
The molecular weight of ksc-8-31 is 434.13 g/mol.
Where can I buy ksc-8-31?
You can request a quote for ksc-8-31 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ksc-8-31?
Yes, KEHONG BIO provides custom synthesis services for ksc-8-31 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.