5-cyano-6-((cyanomethyl)thio)-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
TL;DR: 5-cyano-6-((cyanomethyl)thio)-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide (CAS 207003-82-5) is a chemical compound with molecular formula C21H18N4O2S2 and molecular weight 422.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-cyano-6-(cyanomethylsulfanyl)-N-(2-methoxyphenyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide
Also Known As: 5-cyano-6-((cyanomethyl)thio)-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide, 5-cyano-6-(cyanomethylsulfanyl)-N-(2-methoxyphenyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide, 5-cyano-6-[(cyanomethyl)sulfanyl]-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
| Molecular Formula | C21H18N4O2S2 |
|---|---|
| Molecular Weight | 422.09 g/mol |
| LogP | 4.34816 |
| Topological Polar Surface Area | 97.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.08713 |
| Heavy Atoms | 29 |
| Complexity | 1059.0906 |
Chemical Identifiers
| CAS Number | 207003-82-5 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC#N)C#N)C2=CC=CS2)C(=O)NC3=CC=CC=C3OC |
Product Overview
5-cyano-6-((cyanomethyl)thio)-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide (CAS 207003-82-5), with molecular formula C21H18N4O2S2 and molecular weight 422.09 g/mol. IUPAC: 5-cyano-6-(cyanomethylsulfanyl)-N-(2-methoxyphenyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxamide.
Chemical Property Profile of 5-cyano-6-((cyanomethyl)thio)-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
Property Insights of 5-cyano-6-((cyanomethyl)thio)-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide
The XLogP value of 4.34816 indicates that 5-cyano-6-((cyanomethyl)thio)-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-cyano-6-((cyanomethyl)thio)-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide. Following Lipinski's Rule of Five, 5-cyano-6-((cyanomethyl)thio)-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide 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 5-cyano-6-((cyanomethyl)thio)-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide?
The CAS number of 5-cyano-6-((cyanomethyl)thio)-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide is 207003-82-5.
What is the molecular formula of 5-cyano-6-((cyanomethyl)thio)-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide?
The molecular formula of 5-cyano-6-((cyanomethyl)thio)-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide is C21H18N4O2S2.
What is the molecular weight of 5-cyano-6-((cyanomethyl)thio)-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide?
The molecular weight of 5-cyano-6-((cyanomethyl)thio)-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide is 422.09 g/mol.
Where can I buy 5-cyano-6-((cyanomethyl)thio)-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide?
You can request a quote for 5-cyano-6-((cyanomethyl)thio)-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-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-6-((cyanomethyl)thio)-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-cyano-6-((cyanomethyl)thio)-N-(2-methoxyphenyl)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.