2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-mesitylacetamide
TL;DR: 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-mesitylacetamide (CAS 489442-85-5) is a chemical compound with molecular formula C30H29N3O3S and molecular weight 511.19 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-(2,4,6-trimethylphenyl)acetamide
Also Known As: 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-mesitylacetamide, 2-({4-[4-(benzyloxy)phenyl]-3-cyano-6-hydroxy-4,5-dihydropyridin-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide, 2-({4-[4-(benzyloxy)phenyl]-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(2,4,6-trimethylphenyl)acetamide, 2-[[5-cyano-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
| Molecular Formula | C30H29N3O3S |
|---|---|
| Molecular Weight | 511.19 g/mol |
| LogP | 5.90144 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 511.19296 |
| Heavy Atoms | 37 |
| Complexity | 1352.4257 |
Chemical Identifiers
| CAS Number | 489442-85-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N)C |
Product Overview
2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-mesitylacetamide (CAS 489442-85-5), with molecular formula C30H29N3O3S and molecular weight 511.19 g/mol. IUPAC: 2-[[5-cyano-2-oxo-4-(4-phenylmethoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.
Chemical Property Profile of 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-mesitylacetamide
Property Insights of 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-mesitylacetamide
The XLogP value of 5.90144 indicates that 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-mesitylacetamide 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-mesitylacetamide. Following Lipinski's Rule of Five, 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-mesitylacetamide has 2 hydrogen bond donor(s) and 5 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)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-mesitylacetamide?
The CAS number of 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-mesitylacetamide is 489442-85-5.
What is the molecular formula of 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-mesitylacetamide?
The molecular formula of 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-mesitylacetamide is C30H29N3O3S.
What is the molecular weight of 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-mesitylacetamide?
The molecular weight of 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-mesitylacetamide is 511.19 g/mol.
Where can I buy 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-mesitylacetamide?
You can request a quote for 2-((4-(4-(benzyloxy)phenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-mesitylacetamide 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-mesitylacetamide?
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-mesitylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.