prop-2-en-1-yl 5-cyano-2-methyl-6-(methylsulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
TL;DR: prop-2-en-1-yl 5-cyano-2-methyl-6-(methylsulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate (CAS 499209-03-9) is a chemical compound with molecular formula C16H16N2O2S2 and molecular weight 332.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 5-cyano-2-methyl-6-methylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
Also Known As: prop-2-en-1-yl 5-cyano-2-methyl-6-(methylsulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate, allyl 5-cyano-2-methyl-6-(methylthio)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate, 5-Cyano-2-methyl-6-methylsulfanyl-4-thiophen-2-yl-1,4-dihydro-pyridine-3-carboxylic acid allyl ester, prop-2-enyl 5-cyano-2-methyl-6-methylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C16H16N2O2S2 |
|---|---|
| Molecular Weight | 332.07 g/mol |
| LogP | 3.53628 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.0653 |
| Heavy Atoms | 22 |
| Complexity | 681.499 |
Chemical Identifiers
| CAS Number | 499209-03-9 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SC)C#N)C2=CC=CS2)C(=O)OCC=C |
Product Overview
prop-2-en-1-yl 5-cyano-2-methyl-6-(methylsulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate (CAS 499209-03-9), with molecular formula C16H16N2O2S2 and molecular weight 332.07 g/mol. IUPAC: prop-2-enyl 5-cyano-2-methyl-6-methylsulfanyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of prop-2-en-1-yl 5-cyano-2-methyl-6-(methylsulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
Property Insights of prop-2-en-1-yl 5-cyano-2-methyl-6-(methylsulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate
The XLogP value of 3.53628 indicates that prop-2-en-1-yl 5-cyano-2-methyl-6-(methylsulfanyl)-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 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for prop-2-en-1-yl 5-cyano-2-methyl-6-(methylsulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, prop-2-en-1-yl 5-cyano-2-methyl-6-(methylsulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate 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 prop-2-en-1-yl 5-cyano-2-methyl-6-(methylsulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate?
The CAS number of prop-2-en-1-yl 5-cyano-2-methyl-6-(methylsulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate is 499209-03-9.
What is the molecular formula of prop-2-en-1-yl 5-cyano-2-methyl-6-(methylsulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate?
The molecular formula of prop-2-en-1-yl 5-cyano-2-methyl-6-(methylsulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate is C16H16N2O2S2.
What is the molecular weight of prop-2-en-1-yl 5-cyano-2-methyl-6-(methylsulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate?
The molecular weight of prop-2-en-1-yl 5-cyano-2-methyl-6-(methylsulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate is 332.07 g/mol.
Where can I buy prop-2-en-1-yl 5-cyano-2-methyl-6-(methylsulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate?
You can request a quote for prop-2-en-1-yl 5-cyano-2-methyl-6-(methylsulfanyl)-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 prop-2-en-1-yl 5-cyano-2-methyl-6-(methylsulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for prop-2-en-1-yl 5-cyano-2-methyl-6-(methylsulfanyl)-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.