2-methoxyethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate
TL;DR: 2-methoxyethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate (CAS 796878-68-7) is a chemical compound with molecular formula C25H23ClN4O6S and molecular weight 542.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate
Also Known As: 2-methoxyethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate, 2-methoxyethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,4-dihydropyridine-3-carboxylate, 2-methoxyethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C25H23ClN4O6S |
|---|---|
| Molecular Weight | 542.10 g/mol |
| LogP | 4.50568 |
| Topological Polar Surface Area | 143.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 542.10266 |
| Heavy Atoms | 37 |
| Complexity | 1285.7554 |
Chemical Identifiers
| CAS Number | 796878-68-7 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C#N)C3=CC=C(C=C3)Cl)C(=O)OCCOC |
Product Overview
2-methoxyethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate (CAS 796878-68-7), with molecular formula C25H23ClN4O6S and molecular weight 542.10 g/mol. IUPAC: 2-methoxyethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of 2-methoxyethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate
Property Insights of 2-methoxyethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate
The XLogP value of 4.50568 indicates that 2-methoxyethyl 4-(4-chlorophenyl)-5-cyano-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 143.59 Ų indicates high polarity, suggesting 2-methoxyethyl 4-(4-chlorophenyl)-5-cyano-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 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-methoxyethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate?
The CAS number of 2-methoxyethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate is 796878-68-7.
What is the molecular formula of 2-methoxyethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate?
The molecular formula of 2-methoxyethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate is C25H23ClN4O6S.
What is the molecular weight of 2-methoxyethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate?
The molecular weight of 2-methoxyethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate is 542.10 g/mol.
Where can I buy 2-methoxyethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-((2-((4-nitrophenyl)amino)-2-oxoethyl)thio)-1,4-dihydropyridine-3-carboxylate?
You can request a quote for 2-methoxyethyl 4-(4-chlorophenyl)-5-cyano-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 4-(4-chlorophenyl)-5-cyano-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 4-(4-chlorophenyl)-5-cyano-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.