2-(benzylthio)-N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)benzamide
TL;DR: 2-(benzylthio)-N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)benzamide (CAS 716342-48-2) is a chemical compound with molecular formula C34H32N2O5S and molecular weight 580.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]benzamide
Also Known As: 2-(benzylthio)-N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)benzamide, 2-(BENZYLSULFANYL)-N-{2-[(6,7-DIMETHOXYISOQUINOLIN-1-YL)METHYL]-4,5-DIMETHOXYPHENYL}BENZAMIDE, 2-benzylsulfanyl-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]benzamide, 2-benzylsulfanyl-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]benzamide
| Molecular Formula | C34H32N2O5S |
|---|---|
| Molecular Weight | 580.20 g/mol |
| LogP | 7.4046 |
| Topological Polar Surface Area | 78.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 580.2032 |
| Heavy Atoms | 42 |
| Complexity | 1708.2672 |
Chemical Identifiers
| CAS Number | 716342-48-2 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)C4=CC=CC=C4SCC5=CC=CC=C5)OC)OC)OC |
Product Overview
2-(benzylthio)-N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)benzamide (CAS 716342-48-2), with molecular formula C34H32N2O5S and molecular weight 580.20 g/mol. IUPAC: 2-benzylsulfanyl-N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]benzamide.
Chemical Property Profile of 2-(benzylthio)-N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)benzamide
Property Insights of 2-(benzylthio)-N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)benzamide
The XLogP value of 7.4046 indicates that 2-(benzylthio)-N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(benzylthio)-N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)benzamide. Following Lipinski's Rule of Five, 2-(benzylthio)-N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)benzamide has 1 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-(benzylthio)-N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)benzamide?
The CAS number of 2-(benzylthio)-N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)benzamide is 716342-48-2.
What is the molecular formula of 2-(benzylthio)-N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)benzamide?
The molecular formula of 2-(benzylthio)-N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)benzamide is C34H32N2O5S.
What is the molecular weight of 2-(benzylthio)-N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)benzamide?
The molecular weight of 2-(benzylthio)-N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)benzamide is 580.20 g/mol.
Where can I buy 2-(benzylthio)-N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)benzamide?
You can request a quote for 2-(benzylthio)-N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylthio)-N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylthio)-N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.