![2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyaniline structure](/static/products/3994/39945-32-9.webp)
2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyaniline
TL;DR: 2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyaniline (CAS 39945-32-9) is a chemical compound with molecular formula C20H22N2O4 and molecular weight 354.16 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-dimethoxyaniline
Also Known As: 2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyaniline, BAS 04850312, 2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-aniline, 2-(6,7-Dimethoxy-isoquinolin-1-ylmethyl)-4,5-dimethoxy-phenylamine, BRD-K06198428-001-09-6
| Molecular Formula | C20H22N2O4 |
|---|---|
| Molecular Weight | 354.16 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 75.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.15796 |
| Heavy Atoms | 26 |
| Complexity | 438.0 |
Chemical Identifiers
| CAS Number | 39945-32-9 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3N)OC)OC)OC |
| InChIKey | NYESKLOWXNLPID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyaniline (CAS 39945-32-9), with molecular formula C20H22N2O4 and molecular weight 354.16 g/mol. IUPAC: 2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyaniline.
Chemical Property Profile of 2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyaniline
Property Insights of 2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyaniline
The XLogP value of 3.3 indicates that 2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyaniline. Following Lipinski's Rule of Five, 2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyaniline has 1 hydrogen bond donor(s) and 6 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-dimethoxyaniline?
The CAS number of 2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyaniline is 39945-32-9.
What is the molecular formula of 2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyaniline?
The molecular formula of 2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyaniline is C20H22N2O4.
What is the molecular weight of 2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyaniline?
The molecular weight of 2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyaniline is 354.16 g/mol.
Where can I buy 2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyaniline?
You can request a quote for 2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyaniline 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-dimethoxyaniline?
Yes, KEHONG BIO provides custom synthesis services for 2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.