4-(2-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
TL;DR: 4-(2-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide (CAS 185409-99-8) is a chemical compound with molecular formula C28H22ClN3O2S and molecular weight 499.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Also Known As: 4-(2-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide, 4-(2-chlorophenyl)-5-cyano-2-methyl-6-((2-oxo-2-phenylethyl)thio)-N-phenyl-1,4-dihydropyridine-3-carboxamide, 4-(2-chlorophenyl)-5-cyano-2-methyl-6-[(2-oxo-2-phenylethyl)sulfanyl]-N-phenyl-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C28H22ClN3O2S |
|---|---|
| Molecular Weight | 499.11 g/mol |
| LogP | 6.29078 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 499.11212 |
| Heavy Atoms | 35 |
| Complexity | 1361.7096 |
Chemical Identifiers
| CAS Number | 185409-99-8 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)C2=CC=CC=C2)C#N)C3=CC=CC=C3Cl)C(=O)NC4=CC=CC=C4 |
Product Overview
4-(2-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide (CAS 185409-99-8), with molecular formula C28H22ClN3O2S and molecular weight 499.11 g/mol. IUPAC: 4-(2-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of 4-(2-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Property Insights of 4-(2-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
The XLogP value of 6.29078 indicates that 4-(2-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide 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 4-(2-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide. Following Lipinski's Rule of Five, 4-(2-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide 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 4-(2-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide?
The CAS number of 4-(2-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide is 185409-99-8.
What is the molecular formula of 4-(2-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide?
The molecular formula of 4-(2-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide is C28H22ClN3O2S.
What is the molecular weight of 4-(2-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide?
The molecular weight of 4-(2-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide is 499.11 g/mol.
Where can I buy 4-(2-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide?
You can request a quote for 4-(2-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-chlorophenyl)-5-cyano-2-methyl-6-phenacylsulfanyl-N-phenyl-1,4-dihydropyridine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.