Ethyl 5-cyano-6-(cyanomethylsulfanyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
TL;DR: Ethyl 5-cyano-6-(cyanomethylsulfanyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate (CAS 349444-39-9) is a chemical compound with molecular formula C16H15N3O2S2 and molecular weight 345.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-6-(cyanomethylsulfanyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
Also Known As: Ethyl 5-cyano-6-(cyanomethylsulfanyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate, ethyl 5-cyano-6-((cyanomethyl)thio)-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate, ethyl 5-cyano-6-[(cyanomethyl)sulfanyl]-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C16H15N3O2S2 |
|---|---|
| Molecular Weight | 345.06 g/mol |
| LogP | 3.26396 |
| Topological Polar Surface Area | 85.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.06058 |
| Heavy Atoms | 23 |
| Complexity | 736.3652 |
Chemical Identifiers
| CAS Number | 349444-39-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC#N)C |
Product Overview
Ethyl 5-cyano-6-(cyanomethylsulfanyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate (CAS 349444-39-9), with molecular formula C16H15N3O2S2 and molecular weight 345.06 g/mol. IUPAC: ethyl 5-cyano-6-(cyanomethylsulfanyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of Ethyl 5-cyano-6-(cyanomethylsulfanyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
Property Insights of Ethyl 5-cyano-6-(cyanomethylsulfanyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
The XLogP value of 3.26396 indicates that Ethyl 5-cyano-6-(cyanomethylsulfanyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-cyano-6-(cyanomethylsulfanyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-cyano-6-(cyanomethylsulfanyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate has 1 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 Ethyl 5-cyano-6-(cyanomethylsulfanyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate?
The CAS number of Ethyl 5-cyano-6-(cyanomethylsulfanyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate is 349444-39-9.
What is the molecular formula of Ethyl 5-cyano-6-(cyanomethylsulfanyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate?
The molecular formula of Ethyl 5-cyano-6-(cyanomethylsulfanyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate is C16H15N3O2S2.
What is the molecular weight of Ethyl 5-cyano-6-(cyanomethylsulfanyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate?
The molecular weight of Ethyl 5-cyano-6-(cyanomethylsulfanyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate is 345.06 g/mol.
Where can I buy Ethyl 5-cyano-6-(cyanomethylsulfanyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate?
You can request a quote for Ethyl 5-cyano-6-(cyanomethylsulfanyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-cyano-6-(cyanomethylsulfanyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-cyano-6-(cyanomethylsulfanyl)-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.