2-((5-Acetyl-4-(4-chlorophenyl)-3-cyano-1,4-dihydro-6-methyl-2-pyridinyl)thio)acetamide
TL;DR: 2-((5-Acetyl-4-(4-chlorophenyl)-3-cyano-1,4-dihydro-6-methyl-2-pyridinyl)thio)acetamide (CAS 117491-03-9) is a chemical compound with molecular formula C17H16ClN3O2S and molecular weight 361.07 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]acetamide
Also Known As: 2-((5-Acetyl-4-(4-chlorophenyl)-3-cyano-1,4-dihydro-6-methyl-2-pyridinyl)thio)acetamide, AB00080687-01, Acetamide, 2-((5-acetyl-4-(4-chlorophenyl)-3-cyano-1,4-dihydro-6-methyl-2-pyridinyl)thio)-, 2-{[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydro-2-pyridinyl]thio}acetamide, 2-[[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetamide
| Molecular Formula | C17H16ClN3O2S |
|---|---|
| Molecular Weight | 361.07 g/mol |
| LogP | 2.84348 |
| Topological Polar Surface Area | 95.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.0652 |
| Heavy Atoms | 24 |
| Complexity | 791.0488 |
Chemical Identifiers
| CAS Number | 117491-03-9 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC=C(C=C2)Cl)C(=O)C |
Product Overview
2-((5-Acetyl-4-(4-chlorophenyl)-3-cyano-1,4-dihydro-6-methyl-2-pyridinyl)thio)acetamide (CAS 117491-03-9), with molecular formula C17H16ClN3O2S and molecular weight 361.07 g/mol. IUPAC: 2-[[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-((5-Acetyl-4-(4-chlorophenyl)-3-cyano-1,4-dihydro-6-methyl-2-pyridinyl)thio)acetamide
Property Insights of 2-((5-Acetyl-4-(4-chlorophenyl)-3-cyano-1,4-dihydro-6-methyl-2-pyridinyl)thio)acetamide
The XLogP value of 2.84348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((5-Acetyl-4-(4-chlorophenyl)-3-cyano-1,4-dihydro-6-methyl-2-pyridinyl)thio)acetamide. The TPSA of 95.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-Acetyl-4-(4-chlorophenyl)-3-cyano-1,4-dihydro-6-methyl-2-pyridinyl)thio)acetamide. Following Lipinski's Rule of Five, 2-((5-Acetyl-4-(4-chlorophenyl)-3-cyano-1,4-dihydro-6-methyl-2-pyridinyl)thio)acetamide has 2 hydrogen bond donor(s) and 5 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-1,4-dihydro-6-methyl-2-pyridinyl)thio)acetamide?
The CAS number of 2-((5-Acetyl-4-(4-chlorophenyl)-3-cyano-1,4-dihydro-6-methyl-2-pyridinyl)thio)acetamide is 117491-03-9.
What is the molecular formula of 2-((5-Acetyl-4-(4-chlorophenyl)-3-cyano-1,4-dihydro-6-methyl-2-pyridinyl)thio)acetamide?
The molecular formula of 2-((5-Acetyl-4-(4-chlorophenyl)-3-cyano-1,4-dihydro-6-methyl-2-pyridinyl)thio)acetamide is C17H16ClN3O2S.
What is the molecular weight of 2-((5-Acetyl-4-(4-chlorophenyl)-3-cyano-1,4-dihydro-6-methyl-2-pyridinyl)thio)acetamide?
The molecular weight of 2-((5-Acetyl-4-(4-chlorophenyl)-3-cyano-1,4-dihydro-6-methyl-2-pyridinyl)thio)acetamide is 361.07 g/mol.
Where can I buy 2-((5-Acetyl-4-(4-chlorophenyl)-3-cyano-1,4-dihydro-6-methyl-2-pyridinyl)thio)acetamide?
You can request a quote for 2-((5-Acetyl-4-(4-chlorophenyl)-3-cyano-1,4-dihydro-6-methyl-2-pyridinyl)thio)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-1,4-dihydro-6-methyl-2-pyridinyl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-Acetyl-4-(4-chlorophenyl)-3-cyano-1,4-dihydro-6-methyl-2-pyridinyl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.