allyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate
TL;DR: allyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate (CAS 799771-51-0) is a chemical compound with molecular formula C24H23N3O5S and molecular weight 465.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 5-cyano-4-(furan-2-yl)-6-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: allyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate, prop-2-en-1-yl 5-cyano-4-(furan-2-yl)-6-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate, prop-2-enyl 5-cyano-4-(furan-2-yl)-6-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C24H23N3O5S |
|---|---|
| Molecular Weight | 465.14 g/mol |
| LogP | 4.08528 |
| Topological Polar Surface Area | 113.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 465.13583 |
| Heavy Atoms | 33 |
| Complexity | 1145.0996 |
Chemical Identifiers
| CAS Number | 799771-51-0 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=CC(=CC=C2)OC)C#N)C3=CC=CO3)C(=O)OCC=C |
Product Overview
allyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate (CAS 799771-51-0), with molecular formula C24H23N3O5S and molecular weight 465.14 g/mol. IUPAC: prop-2-enyl 5-cyano-4-(furan-2-yl)-6-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of allyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate
Property Insights of allyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate
The XLogP value of 4.08528 indicates that allyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-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 113.59 Ų falls within the moderate polarity range, balancing permeability and solubility for allyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, allyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate has 2 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 allyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The CAS number of allyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate is 799771-51-0.
What is the molecular formula of allyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The molecular formula of allyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate is C24H23N3O5S.
What is the molecular weight of allyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The molecular weight of allyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate is 465.14 g/mol.
Where can I buy allyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate?
You can request a quote for allyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-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 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for allyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.