2-methoxyethyl 6-(butylsulfanyl)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
TL;DR: 2-methoxyethyl 6-(butylsulfanyl)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate (CAS 799777-16-5) is a chemical compound with molecular formula C21H25ClN2O3S and molecular weight 420.12744 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methoxyethyl 6-butylsulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: 2-methoxyethyl 6-(butylsulfanyl)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate, 2-methoxyethyl 6-(butylthio)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate, 2-methoxyethyl 6-butylsulfanyl-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Technical Specifications
| Molecular Formula | C21H25ClN2O3S |
| Molecular Weight | 420.12744 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 96.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 420.12744 Da |
| Heavy Atoms | 28 |
| Complexity | 668.0 |
| SMILES | CCCCSC1=C(C(C(=C(N1)C)C(=O)OCCOC)C2=CC=CC=C2Cl)C#N |
| InChIKey | MTQTUNFAGDGSKD-UHFFFAOYSA-N |
Chemical Property Profile of 2-methoxyethyl 6-(butylsulfanyl)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Property Insights of 2-methoxyethyl 6-(butylsulfanyl)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
The XLogP value of 4.5 indicates that 2-methoxyethyl 6-(butylsulfanyl)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methoxyethyl 6-(butylsulfanyl)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, 2-methoxyethyl 6-(butylsulfanyl)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-methoxyethyl 6-(butylsulfanyl)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate?
The CAS number of 2-methoxyethyl 6-(butylsulfanyl)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate is 799777-16-5.
What is the molecular formula of 2-methoxyethyl 6-(butylsulfanyl)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate?
The molecular formula of 2-methoxyethyl 6-(butylsulfanyl)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate is C21H25ClN2O3S.
What is the molecular weight of 2-methoxyethyl 6-(butylsulfanyl)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate?
The molecular weight of 2-methoxyethyl 6-(butylsulfanyl)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate is 420.12744 g/mol.
Where can I buy 2-methoxyethyl 6-(butylsulfanyl)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate?
You can request a quote for 2-methoxyethyl 6-(butylsulfanyl)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-methoxyethyl 6-(butylsulfanyl)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for 2-methoxyethyl 6-(butylsulfanyl)-4-(2-chlorophenyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.