allyl 5-cyano-6-(ethylthio)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
TL;DR: allyl 5-cyano-6-(ethylthio)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate (CAS 442556-25-4) is a chemical compound with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 5-cyano-6-ethylsulfanyl-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: allyl 5-cyano-6-(ethylthio)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate, F1109-0044, prop-2-en-1-yl 5-cyano-6-(ethylsulfanyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate, prop-2-enyl 5-cyano-6-ethylsulfanyl-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C20H22N2O4S |
|---|---|
| Molecular Weight | 386.13 g/mol |
| LogP | 3.57908 |
| Topological Polar Surface Area | 91.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.13004 |
| Heavy Atoms | 27 |
| Complexity | 852.02795 |
Chemical Identifiers
| CAS Number | 442556-25-4 |
|---|---|
| SMILES | CCSC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CC(=C(C=C2)O)OC)C#N |
Product Overview
allyl 5-cyano-6-(ethylthio)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate (CAS 442556-25-4), with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol. IUPAC: prop-2-enyl 5-cyano-6-ethylsulfanyl-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of allyl 5-cyano-6-(ethylthio)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Property Insights of allyl 5-cyano-6-(ethylthio)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
The XLogP value of 3.57908 indicates that allyl 5-cyano-6-(ethylthio)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.58 Ų falls within the moderate polarity range, balancing permeability and solubility for allyl 5-cyano-6-(ethylthio)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, allyl 5-cyano-6-(ethylthio)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate has 2 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 allyl 5-cyano-6-(ethylthio)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The CAS number of allyl 5-cyano-6-(ethylthio)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate is 442556-25-4.
What is the molecular formula of allyl 5-cyano-6-(ethylthio)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The molecular formula of allyl 5-cyano-6-(ethylthio)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate is C20H22N2O4S.
What is the molecular weight of allyl 5-cyano-6-(ethylthio)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The molecular weight of allyl 5-cyano-6-(ethylthio)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate is 386.13 g/mol.
Where can I buy allyl 5-cyano-6-(ethylthio)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
You can request a quote for allyl 5-cyano-6-(ethylthio)-4-(4-hydroxy-3-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 allyl 5-cyano-6-(ethylthio)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for allyl 5-cyano-6-(ethylthio)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.