2-methoxyethyl 4-(2-chlorophenyl)-5-cyano-6-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate
TL;DR: 2-methoxyethyl 4-(2-chlorophenyl)-5-cyano-6-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate (CAS 799776-13-9) is a chemical compound with molecular formula C27H28ClN3O4S and molecular weight 525.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 4-(2-chlorophenyl)-5-cyano-6-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: 2-methoxyethyl 4-(2-chlorophenyl)-5-cyano-6-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate, 2-methoxyethyl 4-(2-chlorophenyl)-5-cyano-6-({2-[(2,6-dimethylphenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-1,4-dihydropyridine-3-carboxylate, 2-methoxyethyl 4-(2-chlorophenyl)-5-cyano-6-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C27H28ClN3O4S |
|---|---|
| Molecular Weight | 525.15 g/mol |
| LogP | 5.21432 |
| Topological Polar Surface Area | 100.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 525.1489 |
| Heavy Atoms | 36 |
| Complexity | 1245.6554 |
Chemical Identifiers
| CAS Number | 799776-13-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCCOC)C3=CC=CC=C3Cl)C#N |
Product Overview
2-methoxyethyl 4-(2-chlorophenyl)-5-cyano-6-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate (CAS 799776-13-9), with molecular formula C27H28ClN3O4S and molecular weight 525.15 g/mol. IUPAC: 2-methoxyethyl 4-(2-chlorophenyl)-5-cyano-6-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-2-methyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of 2-methoxyethyl 4-(2-chlorophenyl)-5-cyano-6-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate
Property Insights of 2-methoxyethyl 4-(2-chlorophenyl)-5-cyano-6-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate
The XLogP value of 5.21432 indicates that 2-methoxyethyl 4-(2-chlorophenyl)-5-cyano-6-((2-((2,6-dimethylphenyl)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 100.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methoxyethyl 4-(2-chlorophenyl)-5-cyano-6-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, 2-methoxyethyl 4-(2-chlorophenyl)-5-cyano-6-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate has 2 hydrogen bond donor(s) and 7 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-(2-chlorophenyl)-5-cyano-6-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The CAS number of 2-methoxyethyl 4-(2-chlorophenyl)-5-cyano-6-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate is 799776-13-9.
What is the molecular formula of 2-methoxyethyl 4-(2-chlorophenyl)-5-cyano-6-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The molecular formula of 2-methoxyethyl 4-(2-chlorophenyl)-5-cyano-6-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate is C27H28ClN3O4S.
What is the molecular weight of 2-methoxyethyl 4-(2-chlorophenyl)-5-cyano-6-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate?
The molecular weight of 2-methoxyethyl 4-(2-chlorophenyl)-5-cyano-6-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate is 525.15 g/mol.
Where can I buy 2-methoxyethyl 4-(2-chlorophenyl)-5-cyano-6-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate?
You can request a quote for 2-methoxyethyl 4-(2-chlorophenyl)-5-cyano-6-((2-((2,6-dimethylphenyl)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 2-methoxyethyl 4-(2-chlorophenyl)-5-cyano-6-((2-((2,6-dimethylphenyl)amino)-2-oxoethyl)thio)-2-methyl-1,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-methoxyethyl 4-(2-chlorophenyl)-5-cyano-6-((2-((2,6-dimethylphenyl)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.