allyl 6-((2-amino-2-oxoethyl)thio)-4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
TL;DR: allyl 6-((2-amino-2-oxoethyl)thio)-4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate (CAS 797798-95-9) is a chemical compound with molecular formula C27H27N3O5S and molecular weight 505.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: allyl 6-((2-amino-2-oxoethyl)thio)-4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate, prop-2-en-1-yl 6-[(2-amino-2-oxoethyl)sulfanyl]-4-[4-(benzyloxy)-3-methoxyphenyl]-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate, prop-2-enyl 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C27H27N3O5S |
|---|---|
| Molecular Weight | 505.17 g/mol |
| LogP | 3.91788 |
| Topological Polar Surface Area | 123.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 505.16714 |
| Heavy Atoms | 36 |
| Complexity | 1247.8005 |
Chemical Identifiers
| CAS Number | 797798-95-9 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)C(=O)OCC=C |
Product Overview
allyl 6-((2-amino-2-oxoethyl)thio)-4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate (CAS 797798-95-9), with molecular formula C27H27N3O5S and molecular weight 505.17 g/mol. IUPAC: prop-2-enyl 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of allyl 6-((2-amino-2-oxoethyl)thio)-4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Property Insights of allyl 6-((2-amino-2-oxoethyl)thio)-4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
The XLogP value of 3.91788 indicates that allyl 6-((2-amino-2-oxoethyl)thio)-4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.67 Ų falls within the moderate polarity range, balancing permeability and solubility for allyl 6-((2-amino-2-oxoethyl)thio)-4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, allyl 6-((2-amino-2-oxoethyl)thio)-4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of allyl 6-((2-amino-2-oxoethyl)thio)-4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate?
The CAS number of allyl 6-((2-amino-2-oxoethyl)thio)-4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate is 797798-95-9.
What is the molecular formula of allyl 6-((2-amino-2-oxoethyl)thio)-4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate?
The molecular formula of allyl 6-((2-amino-2-oxoethyl)thio)-4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate is C27H27N3O5S.
What is the molecular weight of allyl 6-((2-amino-2-oxoethyl)thio)-4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate?
The molecular weight of allyl 6-((2-amino-2-oxoethyl)thio)-4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate is 505.17 g/mol.
Where can I buy allyl 6-((2-amino-2-oxoethyl)thio)-4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate?
You can request a quote for allyl 6-((2-amino-2-oxoethyl)thio)-4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-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 6-((2-amino-2-oxoethyl)thio)-4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for allyl 6-((2-amino-2-oxoethyl)thio)-4-(4-(benzyloxy)-3-methoxyphenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.