5K-942
TL;DR: 5K-942 (CAS 338959-75-4) is a chemical compound with molecular formula C21H15ClN4O3S and molecular weight 438.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-(4-chlorobenzoyl)-2-(2-cyano-4,5-dimethoxyanilino)thiophene-3-carbonitrile
Also Known As: 5K-942, 4-amino-5-(4-chlorobenzoyl)-2-(2-cyano-4,5-dimethoxyanilino)-3-thiophenecarbonitrile, 4-amino-5-(4-chlorobenzoyl)-2-(2-cyano-4,5-dimethoxyanilino)thiophene-3-carbonitrile, 4-amino-5-(4-chlorobenzoyl)-2-[(2-cyano-4,5-dimethoxyphenyl)amino]thiophene-3-carbonitrile, 4-amino-5-(4-chlorobenzoyl)-2-[(2-cyano-4,5-dimethoxy-phenyl)amino]thiophene-3-carbonitrile
| Molecular Formula | C21H15ClN4O3S |
|---|---|
| Molecular Weight | 438.06 g/mol |
| LogP | 4.71886 |
| Topological Polar Surface Area | 121.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.05533 |
| Heavy Atoms | 30 |
| Complexity | 1206.9602 |
Chemical Identifiers
| CAS Number | 338959-75-4 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C#N)NC2=C(C(=C(S2)C(=O)C3=CC=C(C=C3)Cl)N)C#N)OC |
Product Overview
5K-942 (CAS 338959-75-4), with molecular formula C21H15ClN4O3S and molecular weight 438.06 g/mol. IUPAC: 4-amino-5-(4-chlorobenzoyl)-2-(2-cyano-4,5-dimethoxyanilino)thiophene-3-carbonitrile.
Chemical Property Profile of 5K-942
Property Insights of 5K-942
The XLogP value of 4.71886 indicates that 5K-942 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 5K-942. Following Lipinski's Rule of Five, 5K-942 has 2 hydrogen bond donor(s) and 8 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 5K-942?
The CAS number of 5K-942 is 338959-75-4.
What is the molecular formula of 5K-942?
The molecular formula of 5K-942 is C21H15ClN4O3S.
What is the molecular weight of 5K-942?
The molecular weight of 5K-942 is 438.06 g/mol.
Where can I buy 5K-942?
You can request a quote for 5K-942 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5K-942?
Yes, KEHONG BIO provides custom synthesis services for 5K-942 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.