Isoquinolinium, 1-((4-methoxyphenyl)methyl)-2-methyl-5,6,7-trimethoxy-, iodide
TL;DR: Isoquinolinium, 1-((4-methoxyphenyl)methyl)-2-methyl-5,6,7-trimethoxy-, iodide (CAS 4668-06-8) is a chemical compound with molecular formula C21H24INO4 and molecular weight 481.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6,7-trimethoxy-1-[(4-methoxyphenyl)methyl]-2-methylisoquinolin-2-ium iodide
Also Known As: Takatonine iodide, 1-((4-Methoxyphenyl)methyl)-2-methyl-5,6,7-trimethoxyisoquinolinium iodide, 5,6,7-Trimethoxy-1-(p-methoxybenzyl)-2-methylisoquinolinium iodide, Isoquinolinium, 5,6,7-trimethoxy-1-(p-methoxybenzyl)-2-methyl-, iodide, Isoquinolinium, 1-((4-methoxyphenyl)methyl)-2-methyl-5,6,7-trimethoxy-, iodide
| Molecular Formula | C21H24INO4 |
|---|---|
| Molecular Weight | 481.07 g/mol |
| LogP | 0.2935 |
| Topological Polar Surface Area | 40.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.075 |
| Heavy Atoms | 27 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 4668-06-8 |
|---|---|
| SMILES | C[N+]1=C(C2=CC(=C(C(=C2C=C1)OC)OC)OC)CC3=CC=C(C=C3)OC.[I-] |
| InChIKey | YGXKLEJQANTEMR-UHFFFAOYSA-M |
Product Overview
Isoquinolinium, 1-((4-methoxyphenyl)methyl)-2-methyl-5,6,7-trimethoxy-, iodide (CAS 4668-06-8), with molecular formula C21H24INO4 and molecular weight 481.07 g/mol. IUPAC: 5,6,7-trimethoxy-1-[(4-methoxyphenyl)methyl]-2-methylisoquinolin-2-ium iodide.
Chemical Property Profile of Isoquinolinium, 1-((4-methoxyphenyl)methyl)-2-methyl-5,6,7-trimethoxy-, iodide
Property Insights of Isoquinolinium, 1-((4-methoxyphenyl)methyl)-2-methyl-5,6,7-trimethoxy-, iodide
The XLogP value of 0.2935 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinolinium, 1-((4-methoxyphenyl)methyl)-2-methyl-5,6,7-trimethoxy-, iodide. With a topological polar surface area (TPSA) of 40.8 Ų, Isoquinolinium, 1-((4-methoxyphenyl)methyl)-2-methyl-5,6,7-trimethoxy-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinolinium, 1-((4-methoxyphenyl)methyl)-2-methyl-5,6,7-trimethoxy-, iodide 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 Isoquinolinium, 1-((4-methoxyphenyl)methyl)-2-methyl-5,6,7-trimethoxy-, iodide?
The CAS number of Isoquinolinium, 1-((4-methoxyphenyl)methyl)-2-methyl-5,6,7-trimethoxy-, iodide is 4668-06-8.
What is the molecular formula of Isoquinolinium, 1-((4-methoxyphenyl)methyl)-2-methyl-5,6,7-trimethoxy-, iodide?
The molecular formula of Isoquinolinium, 1-((4-methoxyphenyl)methyl)-2-methyl-5,6,7-trimethoxy-, iodide is C21H24INO4.
What is the molecular weight of Isoquinolinium, 1-((4-methoxyphenyl)methyl)-2-methyl-5,6,7-trimethoxy-, iodide?
The molecular weight of Isoquinolinium, 1-((4-methoxyphenyl)methyl)-2-methyl-5,6,7-trimethoxy-, iodide is 481.07 g/mol.
Where can I buy Isoquinolinium, 1-((4-methoxyphenyl)methyl)-2-methyl-5,6,7-trimethoxy-, iodide?
You can request a quote for Isoquinolinium, 1-((4-methoxyphenyl)methyl)-2-methyl-5,6,7-trimethoxy-, iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinolinium, 1-((4-methoxyphenyl)methyl)-2-methyl-5,6,7-trimethoxy-, iodide?
Yes, KEHONG BIO provides custom synthesis services for Isoquinolinium, 1-((4-methoxyphenyl)methyl)-2-methyl-5,6,7-trimethoxy-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.