5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
TL;DR: 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide (CAS 896091-16-0) is a chemical compound with molecular formula C30H27N3O5S and molecular weight 541.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Also Known As: 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide, 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide, 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C30H27N3O5S |
|---|---|
| Molecular Weight | 541.17 g/mol |
| LogP | 5.36018 |
| Topological Polar Surface Area | 120.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 541.1671 |
| Heavy Atoms | 39 |
| Complexity | 1491.2274 |
Chemical Identifiers
| CAS Number | 896091-16-0 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)C2=CC=C(C=C2)OC)C#N)C3=CC(=C(C=C3)O)OC)C(=O)NC4=CC=CC=C4 |
Product Overview
5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide (CAS 896091-16-0), with molecular formula C30H27N3O5S and molecular weight 541.17 g/mol. IUPAC: 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
Property Insights of 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide
The XLogP value of 5.36018 indicates that 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide. Following Lipinski's Rule of Five, 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide?
The CAS number of 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide is 896091-16-0.
What is the molecular formula of 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide?
The molecular formula of 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide is C30H27N3O5S.
What is the molecular weight of 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide?
The molecular weight of 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide is 541.17 g/mol.
Where can I buy 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide?
You can request a quote for 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-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 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-2-methyl-N-phenyl-1,4-dihydropyridine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.