N-methyl-3-(3,4-(methylenedioxy)phenyl)-6,7-dimethoxyisoquinoline
TL;DR: N-methyl-3-(3,4-(methylenedioxy)phenyl)-6,7-dimethoxyisoquinoline (CAS 93973-22-9) is a chemical compound with molecular formula C19H18ClNO4 and molecular weight 359.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methylisoquinolin-2-ium chloride
Also Known As: Isoquinolinium, 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methyl-, chloride, N-Methyl-3-(3,4-(methylenedioxy)phenyl)-6,7-dimethoxyisoquinoline, N-Methyl-3-(3,4-(methylenedioxy)phenyl)-6,7-dimethoxyisoquinolinium chloride, 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methylisoquinolin-2, 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methylisoquinolin-2-ium chloride
| Molecular Formula | C19H18ClNO4 |
|---|---|
| Molecular Weight | 359.09 g/mol |
| LogP | 0.0812 |
| Topological Polar Surface Area | 40.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.09244 |
| Heavy Atoms | 25 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 93973-22-9 |
|---|---|
| SMILES | C[N+]1=CC2=CC(=C(C=C2C=C1C3=CC4=C(C=C3)OCO4)OC)OC.[Cl-] |
| InChIKey | KFBIKWJMMKUVHY-UHFFFAOYSA-M |
Product Overview
N-methyl-3-(3,4-(methylenedioxy)phenyl)-6,7-dimethoxyisoquinoline (CAS 93973-22-9), with molecular formula C19H18ClNO4 and molecular weight 359.09 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-2-methylisoquinolin-2-ium chloride.
Chemical Property Profile of N-methyl-3-(3,4-(methylenedioxy)phenyl)-6,7-dimethoxyisoquinoline
Property Insights of N-methyl-3-(3,4-(methylenedioxy)phenyl)-6,7-dimethoxyisoquinoline
The XLogP value of 0.0812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-3-(3,4-(methylenedioxy)phenyl)-6,7-dimethoxyisoquinoline. With a topological polar surface area (TPSA) of 40.8 Ų, N-methyl-3-(3,4-(methylenedioxy)phenyl)-6,7-dimethoxyisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methyl-3-(3,4-(methylenedioxy)phenyl)-6,7-dimethoxyisoquinoline has 0 hydrogen bond donor(s) and 5 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 N-methyl-3-(3,4-(methylenedioxy)phenyl)-6,7-dimethoxyisoquinoline?
The CAS number of N-methyl-3-(3,4-(methylenedioxy)phenyl)-6,7-dimethoxyisoquinoline is 93973-22-9.
What is the molecular formula of N-methyl-3-(3,4-(methylenedioxy)phenyl)-6,7-dimethoxyisoquinoline?
The molecular formula of N-methyl-3-(3,4-(methylenedioxy)phenyl)-6,7-dimethoxyisoquinoline is C19H18ClNO4.
What is the molecular weight of N-methyl-3-(3,4-(methylenedioxy)phenyl)-6,7-dimethoxyisoquinoline?
The molecular weight of N-methyl-3-(3,4-(methylenedioxy)phenyl)-6,7-dimethoxyisoquinoline is 359.09 g/mol.
Where can I buy N-methyl-3-(3,4-(methylenedioxy)phenyl)-6,7-dimethoxyisoquinoline?
You can request a quote for N-methyl-3-(3,4-(methylenedioxy)phenyl)-6,7-dimethoxyisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-3-(3,4-(methylenedioxy)phenyl)-6,7-dimethoxyisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-3-(3,4-(methylenedioxy)phenyl)-6,7-dimethoxyisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.