2-((5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(thiazol-2-yl)acetamide
TL;DR: 2-((5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(thiazol-2-yl)acetamide (CAS 586997-76-4) is a chemical compound with molecular formula C20H17ClN4O2S2 and molecular weight 444.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Also Known As: 2-((5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(thiazol-2-yl)acetamide, 2-{[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide, F1524-0179, 2-[[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
| Molecular Formula | C20H17ClN4O2S2 |
|---|---|
| Molecular Weight | 444.05 g/mol |
| LogP | 4.45338 |
| Topological Polar Surface Area | 94.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.04816 |
| Heavy Atoms | 29 |
| Complexity | 1037.4336 |
Chemical Identifiers
| CAS Number | 586997-76-4 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=NC=CS2)C#N)C3=CC=C(C=C3)Cl)C(=O)C |
Product Overview
2-((5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(thiazol-2-yl)acetamide (CAS 586997-76-4), with molecular formula C20H17ClN4O2S2 and molecular weight 444.05 g/mol. IUPAC: 2-[[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of 2-((5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(thiazol-2-yl)acetamide
Property Insights of 2-((5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(thiazol-2-yl)acetamide
The XLogP value of 4.45338 indicates that 2-((5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(thiazol-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(thiazol-2-yl)acetamide. Following Lipinski's Rule of Five, 2-((5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(thiazol-2-yl)acetamide has 2 hydrogen bond donor(s) and 7 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 2-((5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(thiazol-2-yl)acetamide?
The CAS number of 2-((5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(thiazol-2-yl)acetamide is 586997-76-4.
What is the molecular formula of 2-((5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(thiazol-2-yl)acetamide?
The molecular formula of 2-((5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(thiazol-2-yl)acetamide is C20H17ClN4O2S2.
What is the molecular weight of 2-((5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(thiazol-2-yl)acetamide?
The molecular weight of 2-((5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(thiazol-2-yl)acetamide is 444.05 g/mol.
Where can I buy 2-((5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(thiazol-2-yl)acetamide?
You can request a quote for 2-((5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(thiazol-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(thiazol-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(thiazol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.