2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-phenylacetamide
TL;DR: 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-phenylacetamide (CAS 488134-92-5) is a chemical compound with molecular formula C27H23N3O3S and molecular weight 469.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-cyano-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide
Also Known As: 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-phenylacetamide, F1109-0295, 2-({4-[4-(benzyloxy)phenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-phenylacetamide, 2-[[5-cyano-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide
| Molecular Formula | C27H23N3O3S |
|---|---|
| Molecular Weight | 469.15 g/mol |
| LogP | 4.97618 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 469.14603 |
| Heavy Atoms | 34 |
| Complexity | 1219.485 |
Chemical Identifiers
| CAS Number | 488134-92-5 |
|---|---|
| SMILES | C1C(C(=C(NC1=O)SCC(=O)NC2=CC=CC=C2)C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4 |
Product Overview
2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-phenylacetamide (CAS 488134-92-5), with molecular formula C27H23N3O3S and molecular weight 469.15 g/mol. IUPAC: 2-[[5-cyano-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-phenylacetamide.
Chemical Property Profile of 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-phenylacetamide
Property Insights of 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-phenylacetamide
The XLogP value of 4.97618 indicates that 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-phenylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-phenylacetamide. Following Lipinski's Rule of Five, 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-phenylacetamide has 2 hydrogen bond donor(s) and 5 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 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-phenylacetamide?
The CAS number of 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-phenylacetamide is 488134-92-5.
What is the molecular formula of 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-phenylacetamide?
The molecular formula of 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-phenylacetamide is C27H23N3O3S.
What is the molecular weight of 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-phenylacetamide?
The molecular weight of 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-phenylacetamide is 469.15 g/mol.
Where can I buy 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-phenylacetamide?
You can request a quote for 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-phenylacetamide 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)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.