benzyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
TL;DR: benzyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate (CAS 692774-36-0) is a chemical compound with molecular formula C23H22N2O5S and molecular weight 438.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: benzyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate, benzyl 5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate, benzyl 5-cyano-6-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate, benzyl 5-cyano-6-[(2-ethoxy-2-oxoethyl)thio]-4-(2-furyl)-2-methyl-1,4-dihydro-3-pyridinecarboxylate
| Molecular Formula | C23H22N2O5S |
|---|---|
| Molecular Weight | 438.12 g/mol |
| LogP | 4.01528 |
| Topological Polar Surface Area | 101.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 438.12494 |
| Heavy Atoms | 31 |
| Complexity | 1035.6741 |
Chemical Identifiers
| CAS Number | 692774-36-0 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CC=CO3)C#N |
Product Overview
benzyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate (CAS 692774-36-0), with molecular formula C23H22N2O5S and molecular weight 438.12 g/mol. IUPAC: benzyl 5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of benzyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Property Insights of benzyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate
The XLogP value of 4.01528 indicates that benzyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.56 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, benzyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate has 1 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 benzyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The CAS number of benzyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate is 692774-36-0.
What is the molecular formula of benzyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The molecular formula of benzyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate is C23H22N2O5S.
What is the molecular weight of benzyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The molecular weight of benzyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate is 438.12 g/mol.
Where can I buy benzyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
You can request a quote for benzyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(furan-2-yl)-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 benzyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 5-cyano-6-((2-ethoxy-2-oxoethyl)thio)-4-(furan-2-yl)-2-methyl-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.