KSC-13-239
TL;DR: KSC-13-239 (CAS 374693-74-0) is a chemical compound with molecular formula C20H19N5O2S and molecular weight 393.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylethanone
Also Known As: KSC-13-239, F1174-0396, AE-641/41201729, 1-(1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-((1-phenyl-1H-tetrazol-5-yl)thio)ethanone, 1-{1-[(furan-2-yl)methyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethan-1-one
| Molecular Formula | C20H19N5O2S |
|---|---|
| Molecular Weight | 393.13 g/mol |
| LogP | 3.69694 |
| Topological Polar Surface Area | 78.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.12595 |
| Heavy Atoms | 28 |
| Complexity | 1083.4689 |
Chemical Identifiers
| CAS Number | 374693-74-0 |
|---|---|
| SMILES | CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)CSC3=NN=NN3C4=CC=CC=C4 |
Product Overview
KSC-13-239 (CAS 374693-74-0), with molecular formula C20H19N5O2S and molecular weight 393.13 g/mol. IUPAC: 1-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylethanone.
Chemical Property Profile of KSC-13-239
Property Insights of KSC-13-239
The XLogP value of 3.69694 indicates that KSC-13-239 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.74 Ų falls within the moderate polarity range, balancing permeability and solubility for KSC-13-239. Following Lipinski's Rule of Five, KSC-13-239 has 0 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-13-239?
The CAS number of KSC-13-239 is 374693-74-0.
What is the molecular formula of KSC-13-239?
The molecular formula of KSC-13-239 is C20H19N5O2S.
What is the molecular weight of KSC-13-239?
The molecular weight of KSC-13-239 is 393.13 g/mol.
Where can I buy KSC-13-239?
You can request a quote for KSC-13-239 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KSC-13-239?
Yes, KEHONG BIO provides custom synthesis services for KSC-13-239 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.