![2-[(6,7-Dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxybenzenesulfonic acid structure](/static/products/649/64939-60-2.png)
2-[(6,7-Dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxybenzenesulfonic acid
TL;DR: 2-[(6,7-Dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxybenzenesulfonic acid (CAS 64939-60-2) is a chemical compound with molecular formula C20H21NO7S and molecular weight 419.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxybenzenesulfonic acid
Also Known As: 2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-benzenesulfonic Acid, 2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxybenzenesulfonic acid
| Molecular Formula | C20H21NO7S |
|---|---|
| Molecular Weight | 419.10 g/mol |
| LogP | 3.1067 |
| Topological Polar Surface Area | 104.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.10388 |
| Heavy Atoms | 29 |
| Complexity | 1159.1937 |
Chemical Identifiers
| CAS Number | 64939-60-2 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3S(=O)(=O)O)OC)OC)OC |
Product Overview
2-[(6,7-Dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxybenzenesulfonic acid (CAS 64939-60-2), with molecular formula C20H21NO7S and molecular weight 419.10 g/mol. IUPAC: 2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxybenzenesulfonic acid.
Chemical Property Profile of 2-[(6,7-Dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxybenzenesulfonic acid
Property Insights of 2-[(6,7-Dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxybenzenesulfonic acid
The XLogP value of 3.1067 indicates that 2-[(6,7-Dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxybenzenesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(6,7-Dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxybenzenesulfonic acid. Following Lipinski's Rule of Five, 2-[(6,7-Dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxybenzenesulfonic acid has 1 hydrogen bond donor(s) and 7 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-[(6,7-Dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxybenzenesulfonic acid?
The CAS number of 2-[(6,7-Dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxybenzenesulfonic acid is 64939-60-2.
What is the molecular formula of 2-[(6,7-Dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxybenzenesulfonic acid?
The molecular formula of 2-[(6,7-Dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxybenzenesulfonic acid is C20H21NO7S.
What is the molecular weight of 2-[(6,7-Dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxybenzenesulfonic acid?
The molecular weight of 2-[(6,7-Dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxybenzenesulfonic acid is 419.10 g/mol.
Where can I buy 2-[(6,7-Dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxybenzenesulfonic acid?
You can request a quote for 2-[(6,7-Dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxybenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(6,7-Dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxybenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(6,7-Dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxybenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.