ethyl 5-cyano-2-methyl-6-(2-propynylsulfanyl)-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate
TL;DR: ethyl 5-cyano-2-methyl-6-(2-propynylsulfanyl)-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate (CAS 353464-13-8) is a chemical compound with molecular formula C17H16N2O2S2 and molecular weight 344.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-2-methyl-6-prop-2-ynylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
Also Known As: ethyl 5-cyano-2-methyl-6-(2-propynylsulfanyl)-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate, ethyl 5-cyano-2-methyl-6-prop-2-ynylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate, ethyl 5-cyano-2-methyl-6-(prop-2-yn-1-ylthio)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate, ethyl 5-cyano-2-methyl-6-(prop-2-yn-1-ylsulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C17H16N2O2S2 |
|---|---|
| Molecular Weight | 344.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 344.0653 |
| Heavy Atoms | 23 |
| Complexity | 648.0 |
Chemical Identifiers
| CAS Number | 353464-13-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C#N)SCC#C)C |
| InChIKey | GDDBPZOTARKUGD-UHFFFAOYSA-N |
Product Overview
ethyl 5-cyano-2-methyl-6-(2-propynylsulfanyl)-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate (CAS 353464-13-8), with molecular formula C17H16N2O2S2 and molecular weight 344.07 g/mol. IUPAC: ethyl 5-cyano-2-methyl-6-prop-2-ynylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of ethyl 5-cyano-2-methyl-6-(2-propynylsulfanyl)-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate
Property Insights of ethyl 5-cyano-2-methyl-6-(2-propynylsulfanyl)-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate
The XLogP value of 3.0 indicates that ethyl 5-cyano-2-methyl-6-(2-propynylsulfanyl)-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-cyano-2-methyl-6-(2-propynylsulfanyl)-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate. Following Lipinski's Rule of Five, ethyl 5-cyano-2-methyl-6-(2-propynylsulfanyl)-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate has 1 hydrogen bond donor(s) and 6 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-2-methyl-6-(2-propynylsulfanyl)-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate?
The CAS number of ethyl 5-cyano-2-methyl-6-(2-propynylsulfanyl)-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate is 353464-13-8.
What is the molecular formula of ethyl 5-cyano-2-methyl-6-(2-propynylsulfanyl)-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate?
The molecular formula of ethyl 5-cyano-2-methyl-6-(2-propynylsulfanyl)-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate is C17H16N2O2S2.
What is the molecular weight of ethyl 5-cyano-2-methyl-6-(2-propynylsulfanyl)-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate?
The molecular weight of ethyl 5-cyano-2-methyl-6-(2-propynylsulfanyl)-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate is 344.07 g/mol.
Where can I buy ethyl 5-cyano-2-methyl-6-(2-propynylsulfanyl)-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate?
You can request a quote for ethyl 5-cyano-2-methyl-6-(2-propynylsulfanyl)-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate 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-2-methyl-6-(2-propynylsulfanyl)-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-cyano-2-methyl-6-(2-propynylsulfanyl)-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.