![prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate structure](/static/products/4425/442556-20-9.webp)
prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate
TL;DR: prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate (CAS 442556-20-9) is a chemical compound with molecular formula C22H24N2O4S and molecular weight 412.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate
Also Known As: prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate, F1109-0015, allyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-2-methyl-4-(p-tolyl)-1,4-dihydropyridine-3-carboxylate, prop-2-enyl 5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate, 5-Cyano-6-ethoxycarbonylmethylsulfanyl-2-methyl-4-p-tolyl-1,4-dihydro-pyridine-3-carboxylic acid allyl ester
| Molecular Formula | C22H24N2O4S |
|---|---|
| Molecular Weight | 412.15 g/mol |
| LogP | 3.7165 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 412.1457 |
| Heavy Atoms | 29 |
| Complexity | 894.3825 |
Chemical Identifiers
| CAS Number | 442556-20-9 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CC=C(C=C2)C)C#N |
Product Overview
prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate (CAS 442556-20-9), with molecular formula C22H24N2O4S and molecular weight 412.15 g/mol. IUPAC: prop-2-enyl 5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate
Property Insights of prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate
The XLogP value of 3.7165 indicates that prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methyl-4-(4-methylphenyl)-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 prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate?
The CAS number of prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate is 442556-20-9.
What is the molecular formula of prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate?
The molecular formula of prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate is C22H24N2O4S.
What is the molecular weight of prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate?
The molecular weight of prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate is 412.15 g/mol.
Where can I buy prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate?
You can request a quote for prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methyl-4-(4-methylphenyl)-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-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-2-methyl-4-(4-methylphenyl)-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.