![methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate structure](/static/products/488/488101-60-6.png)
methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate
TL;DR: methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate (CAS 488101-60-6) is a chemical compound with molecular formula C25H24ClN3O4S and molecular weight 497.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate, methyl 4-(4-chlorophenyl)-5-cyano-6-((2-(mesitylamino)-2-oxoethyl)thio)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
| Molecular Formula | C25H24ClN3O4S |
|---|---|
| Molecular Weight | 497.12 g/mol |
| LogP | 4.37494 |
| Topological Polar Surface Area | 108.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.1176 |
| Heavy Atoms | 34 |
| Complexity | 1194.652 |
Chemical Identifiers
| CAS Number | 488101-60-6 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)CSC2=C(C(C(C(=O)N2)C(=O)OC)C3=CC=C(C=C3)Cl)C#N)C |
Product Overview
methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate (CAS 488101-60-6), with molecular formula C25H24ClN3O4S and molecular weight 497.12 g/mol. IUPAC: methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate
Property Insights of methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate
The XLogP value of 4.37494 indicates that methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.29 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate. Following Lipinski's Rule of Five, methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate has 2 hydrogen bond donor(s) and 6 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 methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate?
The CAS number of methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate is 488101-60-6.
What is the molecular formula of methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate?
The molecular formula of methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate is C25H24ClN3O4S.
What is the molecular weight of methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate?
The molecular weight of methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate is 497.12 g/mol.
Where can I buy methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate?
You can request a quote for methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(4-chlorophenyl)-5-cyano-2-oxo-6-({2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.