![methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate structure](/static/products/4887/488709-87-1.webp)
methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
TL;DR: methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate (CAS 488709-87-1) is a chemical compound with molecular formula C24H23N3O4S and molecular weight 449.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Also Known As: methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate, methyl 6-((2-(benzylamino)-2-oxoethyl)thio)-5-cyano-2-oxo-4-(p-tolyl)-1,2,3,4-tetrahydropyridine-3-carboxylate, METHYL 6-{[(BENZYLCARBAMOYL)METHYL]SULFANYL}-5-CYANO-4-(4-METHYLPHENYL)-2-OXO-1,2,3,4-TETRAHYDROPYRIDINE-3-CARBOXYLATE, methyl 6-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-5-cyano-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
| Molecular Formula | C24H23N3O4S |
|---|---|
| Molecular Weight | 449.14 g/mol |
| LogP | 2.7824 |
| Topological Polar Surface Area | 108.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 449.14093 |
| Heavy Atoms | 32 |
| Complexity | 1074.6732 |
Chemical Identifiers
| CAS Number | 488709-87-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)NCC3=CC=CC=C3)C(=O)OC |
Product Overview
methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate (CAS 488709-87-1), with molecular formula C24H23N3O4S and molecular weight 449.14 g/mol. IUPAC: methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate.
Chemical Property Profile of methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
Property Insights of methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate
The XLogP value of 2.7824 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate. The TPSA of 108.29 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate. Following Lipinski's Rule of Five, methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-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 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate?
The CAS number of methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate is 488709-87-1.
What is the molecular formula of methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate?
The molecular formula of methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate is C24H23N3O4S.
What is the molecular weight of methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate?
The molecular weight of methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate is 449.14 g/mol.
Where can I buy methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate?
You can request a quote for methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-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 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-[2-(benzylamino)-2-oxoethyl]sulfanyl-5-cyano-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.