![methyl 5-cyano-4-(2-fluorophenyl)-2-hydroxy-6-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-3,4-dihydropyridine-3-carboxylate structure](/static/products/799/799782-03-9.png)
methyl 5-cyano-4-(2-fluorophenyl)-2-hydroxy-6-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-3,4-dihydropyridine-3-carboxylate
TL;DR: methyl 5-cyano-4-(2-fluorophenyl)-2-hydroxy-6-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-3,4-dihydropyridine-3-carboxylate (CAS 799782-03-9) is a chemical compound with molecular formula C23H20FN3O4S and molecular weight 453.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-cyano-4-(2-fluorophenyl)-6-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: methyl 5-cyano-4-(2-fluorophenyl)-2-hydroxy-6-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-3,4-dihydropyridine-3-carboxylate, methyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-((2-oxo-2-(m-tolylamino)ethyl)thio)-1,2,3,4-tetrahydropyridine-3-carboxylate, methyl 5-cyano-4-(2-fluorophenyl)-6-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
| Molecular Formula | C23H20FN3O4S |
|---|---|
| Molecular Weight | 453.12 g/mol |
| LogP | 3.2438 |
| Topological Polar Surface Area | 108.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.11584 |
| Heavy Atoms | 32 |
| Complexity | 1142.0566 |
Chemical Identifiers
| CAS Number | 799782-03-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=C(C(C(C(=O)N2)C(=O)OC)C3=CC=CC=C3F)C#N |
Product Overview
methyl 5-cyano-4-(2-fluorophenyl)-2-hydroxy-6-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-3,4-dihydropyridine-3-carboxylate (CAS 799782-03-9), with molecular formula C23H20FN3O4S and molecular weight 453.12 g/mol. IUPAC: methyl 5-cyano-4-(2-fluorophenyl)-6-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of methyl 5-cyano-4-(2-fluorophenyl)-2-hydroxy-6-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-3,4-dihydropyridine-3-carboxylate
Property Insights of methyl 5-cyano-4-(2-fluorophenyl)-2-hydroxy-6-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-3,4-dihydropyridine-3-carboxylate
The XLogP value of 3.2438 indicates that methyl 5-cyano-4-(2-fluorophenyl)-2-hydroxy-6-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-3,4-dihydropyridine-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 5-cyano-4-(2-fluorophenyl)-2-hydroxy-6-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-3,4-dihydropyridine-3-carboxylate. Following Lipinski's Rule of Five, methyl 5-cyano-4-(2-fluorophenyl)-2-hydroxy-6-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-3,4-dihydropyridine-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 5-cyano-4-(2-fluorophenyl)-2-hydroxy-6-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-3,4-dihydropyridine-3-carboxylate?
The CAS number of methyl 5-cyano-4-(2-fluorophenyl)-2-hydroxy-6-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-3,4-dihydropyridine-3-carboxylate is 799782-03-9.
What is the molecular formula of methyl 5-cyano-4-(2-fluorophenyl)-2-hydroxy-6-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-3,4-dihydropyridine-3-carboxylate?
The molecular formula of methyl 5-cyano-4-(2-fluorophenyl)-2-hydroxy-6-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-3,4-dihydropyridine-3-carboxylate is C23H20FN3O4S.
What is the molecular weight of methyl 5-cyano-4-(2-fluorophenyl)-2-hydroxy-6-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-3,4-dihydropyridine-3-carboxylate?
The molecular weight of methyl 5-cyano-4-(2-fluorophenyl)-2-hydroxy-6-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-3,4-dihydropyridine-3-carboxylate is 453.12 g/mol.
Where can I buy methyl 5-cyano-4-(2-fluorophenyl)-2-hydroxy-6-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-3,4-dihydropyridine-3-carboxylate?
You can request a quote for methyl 5-cyano-4-(2-fluorophenyl)-2-hydroxy-6-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-3,4-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 methyl 5-cyano-4-(2-fluorophenyl)-2-hydroxy-6-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-3,4-dihydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-cyano-4-(2-fluorophenyl)-2-hydroxy-6-({2-[(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)-3,4-dihydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.