![prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate structure](/static/products/4425/442556-49-2.webp)
prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
TL;DR: prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate (CAS 442556-49-2) is a chemical compound with molecular formula C22H24N2O5S and molecular weight 428.14 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-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate, F1109-0113, allyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate, prop-2-enyl 5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C22H24N2O5S |
|---|---|
| Molecular Weight | 428.14 g/mol |
| LogP | 3.41668 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 428.1406 |
| Heavy Atoms | 30 |
| Complexity | 929.70074 |
Chemical Identifiers
| CAS Number | 442556-49-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CC=CC=C2OC)C#N |
Product Overview
prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate (CAS 442556-49-2), with molecular formula C22H24N2O5S and molecular weight 428.14 g/mol. IUPAC: prop-2-enyl 5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Property Insights of prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
The XLogP value of 3.41668 indicates that prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.65 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]-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate has 1 hydrogen bond donor(s) and 8 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]-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The CAS number of prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate is 442556-49-2.
What is the molecular formula of prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The molecular formula of prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate is C22H24N2O5S.
What is the molecular weight of prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The molecular weight of prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate is 428.14 g/mol.
Where can I buy prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
You can request a quote for prop-2-en-1-yl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(2-methoxyphenyl)-2-methyl-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]-4-(2-methoxyphenyl)-2-methyl-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]-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.