allyl 4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-6-((2-methoxy-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate
TL;DR: allyl 4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-6-((2-methoxy-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate (CAS 797768-45-7) is a chemical compound with molecular formula C28H28N2O6S and molecular weight 520.17 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-methoxy-2-oxoethyl)sulfanyl-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: allyl 4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-6-((2-methoxy-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate, prop-2-en-1-yl 4-[4-(benzyloxy)-3-methoxyphenyl]-5-cyano-6-[(2-methoxy-2-oxoethyl)sulfanyl]-2-methyl-1,4-dihydropyridine-3-carboxylate, prop-2-enyl 5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C28H28N2O6S |
|---|---|
| Molecular Weight | 520.17 g/mol |
| LogP | 4.60558 |
| Topological Polar Surface Area | 106.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 520.1668 |
| Heavy Atoms | 37 |
| Complexity | 1263.1786 |
Chemical Identifiers
| CAS Number | 797768-45-7 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)OC)C#N)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)C(=O)OCC=C |
Product Overview
allyl 4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-6-((2-methoxy-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate (CAS 797768-45-7), with molecular formula C28H28N2O6S and molecular weight 520.17 g/mol. IUPAC: prop-2-enyl 5-cyano-6-(2-methoxy-2-oxoethyl)sulfanyl-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of allyl 4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-6-((2-methoxy-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate
Property Insights of allyl 4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-6-((2-methoxy-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate
The XLogP value of 4.60558 indicates that allyl 4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-6-((2-methoxy-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.88 Ų falls within the moderate polarity range, balancing permeability and solubility for allyl 4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-6-((2-methoxy-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, allyl 4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-6-((2-methoxy-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of allyl 4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-6-((2-methoxy-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The CAS number of allyl 4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-6-((2-methoxy-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate is 797768-45-7.
What is the molecular formula of allyl 4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-6-((2-methoxy-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The molecular formula of allyl 4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-6-((2-methoxy-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate is C28H28N2O6S.
What is the molecular weight of allyl 4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-6-((2-methoxy-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The molecular weight of allyl 4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-6-((2-methoxy-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate is 520.17 g/mol.
Where can I buy allyl 4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-6-((2-methoxy-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate?
You can request a quote for allyl 4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-6-((2-methoxy-2-oxoethyl)thio)-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 4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-6-((2-methoxy-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for allyl 4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-6-((2-methoxy-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.