2-((4-(4-(benzyloxy)-3-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(o-tolyl)acetamide
TL;DR: 2-((4-(4-(benzyloxy)-3-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(o-tolyl)acetamide (CAS 384356-16-5) is a chemical compound with molecular formula C29H27N3O4S and molecular weight 513.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-cyano-4-(3-methoxy-4-phenylmethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-methylphenyl)acetamide
Also Known As: 2-((4-(4-(benzyloxy)-3-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(o-tolyl)acetamide, 2-({4-[4-(benzyloxy)-3-methoxyphenyl]-3-cyano-6-hydroxy-4,5-dihydropyridin-2-yl}sulfanyl)-N-(2-methylphenyl)acetamide, 2-({4-[4-(benzyloxy)-3-methoxyphenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(2-methylphenyl)acetamide, 2-[[5-cyano-4-(3-methoxy-4-phenylmethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-methylphenyl)acetamide
| Molecular Formula | C29H27N3O4S |
|---|---|
| Molecular Weight | 513.17 g/mol |
| LogP | 5.2932 |
| Topological Polar Surface Area | 100.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 513.17224 |
| Heavy Atoms | 37 |
| Complexity | 1365.0648 |
Chemical Identifiers
| CAS Number | 384356-16-5 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC2=C(C(CC(=O)N2)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C#N |
Product Overview
2-((4-(4-(benzyloxy)-3-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(o-tolyl)acetamide (CAS 384356-16-5), with molecular formula C29H27N3O4S and molecular weight 513.17 g/mol. IUPAC: 2-[[5-cyano-4-(3-methoxy-4-phenylmethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2-methylphenyl)acetamide.
Chemical Property Profile of 2-((4-(4-(benzyloxy)-3-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(o-tolyl)acetamide
Property Insights of 2-((4-(4-(benzyloxy)-3-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(o-tolyl)acetamide
The XLogP value of 5.2932 indicates that 2-((4-(4-(benzyloxy)-3-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(o-tolyl)acetamide 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-((4-(4-(benzyloxy)-3-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(o-tolyl)acetamide. Following Lipinski's Rule of Five, 2-((4-(4-(benzyloxy)-3-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(o-tolyl)acetamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-(4-(benzyloxy)-3-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(o-tolyl)acetamide?
The CAS number of 2-((4-(4-(benzyloxy)-3-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(o-tolyl)acetamide is 384356-16-5.
What is the molecular formula of 2-((4-(4-(benzyloxy)-3-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(o-tolyl)acetamide?
The molecular formula of 2-((4-(4-(benzyloxy)-3-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(o-tolyl)acetamide is C29H27N3O4S.
What is the molecular weight of 2-((4-(4-(benzyloxy)-3-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(o-tolyl)acetamide?
The molecular weight of 2-((4-(4-(benzyloxy)-3-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(o-tolyl)acetamide is 513.17 g/mol.
Where can I buy 2-((4-(4-(benzyloxy)-3-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(o-tolyl)acetamide?
You can request a quote for 2-((4-(4-(benzyloxy)-3-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(o-tolyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-(4-(benzyloxy)-3-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(o-tolyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(4-(benzyloxy)-3-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(o-tolyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.