2-((3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N,N-diphenylacetamide
TL;DR: 2-((3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N,N-diphenylacetamide (CAS 799770-80-2) is a chemical compound with molecular formula C31H27N3O4S and molecular weight 537.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N,N-diphenylacetamide
Also Known As: 2-((3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N,N-diphenylacetamide, 2-[[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N,N-diphenylacetamide, 2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}-N,N-diphenylacetamide
| Molecular Formula | C31H27N3O4S |
|---|---|
| Molecular Weight | 537.17 g/mol |
| LogP | 5.92798 |
| Topological Polar Surface Area | 102.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 537.17224 |
| Heavy Atoms | 39 |
| Complexity | 1470.2886 |
Chemical Identifiers
| CAS Number | 799770-80-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)N(C4=CC=CC=C4)C5=CC=CC=C5)C#N)O |
Product Overview
2-((3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N,N-diphenylacetamide (CAS 799770-80-2), with molecular formula C31H27N3O4S and molecular weight 537.17 g/mol. IUPAC: 2-[[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N,N-diphenylacetamide.
Chemical Property Profile of 2-((3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N,N-diphenylacetamide
Property Insights of 2-((3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N,N-diphenylacetamide
The XLogP value of 5.92798 indicates that 2-((3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N,N-diphenylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N,N-diphenylacetamide. Following Lipinski's Rule of Five, 2-((3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N,N-diphenylacetamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N,N-diphenylacetamide?
The CAS number of 2-((3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N,N-diphenylacetamide is 799770-80-2.
What is the molecular formula of 2-((3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N,N-diphenylacetamide?
The molecular formula of 2-((3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N,N-diphenylacetamide is C31H27N3O4S.
What is the molecular weight of 2-((3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N,N-diphenylacetamide?
The molecular weight of 2-((3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N,N-diphenylacetamide is 537.17 g/mol.
Where can I buy 2-((3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N,N-diphenylacetamide?
You can request a quote for 2-((3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N,N-diphenylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N,N-diphenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-cyano-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N,N-diphenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.