2-((5-acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(4-fluorophenyl)acetamide
TL;DR: 2-((5-acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(4-fluorophenyl)acetamide (CAS 369397-14-8) is a chemical compound with molecular formula C23H19ClFN3O2S and molecular weight 455.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
Also Known As: 2-((5-acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(4-fluorophenyl)acetamide, 2-{[5-acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide, F1155-0222, 2-[[5-acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
| Molecular Formula | C23H19ClFN3O2S |
|---|---|
| Molecular Weight | 455.09 g/mol |
| LogP | 5.13598 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.08707 |
| Heavy Atoms | 31 |
| Complexity | 1136.2557 |
Chemical Identifiers
| CAS Number | 369397-14-8 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)F)C#N)C3=CC=CC=C3Cl)C(=O)C |
Product Overview
2-((5-acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(4-fluorophenyl)acetamide (CAS 369397-14-8), with molecular formula C23H19ClFN3O2S and molecular weight 455.09 g/mol. IUPAC: 2-[[5-acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl]sulfanyl]-N-(4-fluorophenyl)acetamide.
Chemical Property Profile of 2-((5-acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(4-fluorophenyl)acetamide
Property Insights of 2-((5-acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(4-fluorophenyl)acetamide
The XLogP value of 5.13598 indicates that 2-((5-acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(4-fluorophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(4-fluorophenyl)acetamide. Following Lipinski's Rule of Five, 2-((5-acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(4-fluorophenyl)acetamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((5-acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(4-fluorophenyl)acetamide?
The CAS number of 2-((5-acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(4-fluorophenyl)acetamide is 369397-14-8.
What is the molecular formula of 2-((5-acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(4-fluorophenyl)acetamide?
The molecular formula of 2-((5-acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(4-fluorophenyl)acetamide is C23H19ClFN3O2S.
What is the molecular weight of 2-((5-acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(4-fluorophenyl)acetamide?
The molecular weight of 2-((5-acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(4-fluorophenyl)acetamide is 455.09 g/mol.
Where can I buy 2-((5-acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(4-fluorophenyl)acetamide?
You can request a quote for 2-((5-acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(4-fluorophenyl)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-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(4-fluorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-acetyl-4-(2-chlorophenyl)-3-cyano-6-methyl-1,4-dihydropyridin-2-yl)thio)-N-(4-fluorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.