ethyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate
TL;DR: ethyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate (CAS 578744-52-2) is a chemical compound with molecular formula C28H25N3O5S and molecular weight 515.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-cyano-4-(furan-2-yl)-6-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate
Also Known As: ethyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate, ethyl 5-cyano-4-(furan-2-yl)-6-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-2-phenyl-1,4-dihydropyridine-3-carboxylate, ethyl 5-cyano-4-(furan-2-yl)-6-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C28H25N3O5S |
|---|---|
| Molecular Weight | 515.15 g/mol |
| LogP | 5.05648 |
| Topological Polar Surface Area | 113.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 515.1515 |
| Heavy Atoms | 37 |
| Complexity | 1374.309 |
Chemical Identifiers
| CAS Number | 578744-52-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CO2)C#N)SCC(=O)NC3=CC(=CC=C3)OC)C4=CC=CC=C4 |
Product Overview
ethyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate (CAS 578744-52-2), with molecular formula C28H25N3O5S and molecular weight 515.15 g/mol. IUPAC: ethyl 5-cyano-4-(furan-2-yl)-6-[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl-2-phenyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of ethyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate
Property Insights of ethyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate
The XLogP value of 5.05648 indicates that ethyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-phenyl-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 ethyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-phenyl-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 ethyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate?
The CAS number of ethyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate is 578744-52-2.
What is the molecular formula of ethyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate?
The molecular formula of ethyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate is C28H25N3O5S.
What is the molecular weight of ethyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate?
The molecular weight of ethyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate is 515.15 g/mol.
Where can I buy ethyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate?
You can request a quote for ethyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-phenyl-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 ethyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-cyano-4-(furan-2-yl)-6-((2-((3-methoxyphenyl)amino)-2-oxoethyl)thio)-2-phenyl-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.