2-methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate
TL;DR: 2-methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate (CAS 799770-32-4) is a chemical compound with molecular formula C23H22N4O7S and molecular weight 498.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate
Also Known As: 2-methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate, 2-methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate, 2-methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C23H22N4O7S |
|---|---|
| Molecular Weight | 498.12 g/mol |
| LogP | 3.44528 |
| Topological Polar Surface Area | 156.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 498.1209 |
| Heavy Atoms | 35 |
| Complexity | 1197.4581 |
Chemical Identifiers
| CAS Number | 799770-32-4 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C#N)C3=CC=CO3)C(=O)OCCOC |
Product Overview
2-methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate (CAS 799770-32-4), with molecular formula C23H22N4O7S and molecular weight 498.12 g/mol. IUPAC: 2-methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of 2-methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate
Property Insights of 2-methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate
The XLogP value of 3.44528 indicates that 2-methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.73 Ų indicates high polarity, suggesting 2-methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate has 2 hydrogen bond donor(s) and 10 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 2-methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate?
The CAS number of 2-methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate is 799770-32-4.
What is the molecular formula of 2-methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate?
The molecular formula of 2-methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate is C23H22N4O7S.
What is the molecular weight of 2-methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate?
The molecular weight of 2-methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate is 498.12 g/mol.
Where can I buy 2-methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate?
You can request a quote for 2-methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-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 2-methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-methoxyethyl 5-cyano-4-(furan-2-yl)-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.