2-(1-Carboxy-2-methylpropyl)-3-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolinium
TL;DR: 2-(1-Carboxy-2-methylpropyl)-3-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolinium (CAS 760939-48-8) is a chemical compound with molecular formula C24H28NO5+ and molecular weight 410.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolin-2-ium-2-yl]-3-methylbutanoic acid
Also Known As: 2-(1-Carboxy-2-methylpropyl)-3-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolinium, 2-(1-Carboxy-2-methylpropyl)-3-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolin-2-ium, 2-[3-(4-ethoxyphenyl)-6,7-dimethoxy-isoquinolin-2-yl]-3-methyl-butanoic Acid, 2-[3-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolin-2-ium-2-yl]-3-methylbutanoic acid
| Molecular Formula | C24H28NO5+ |
|---|---|
| Molecular Weight | 410.20 g/mol |
| LogP | 4.4919 |
| Topological Polar Surface Area | 68.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 410.19675 |
| Heavy Atoms | 30 |
| Complexity | 1043.6407 |
Chemical Identifiers
| CAS Number | 760939-48-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=CC3=CC(=C(C=C3C=[N+]2C(C(C)C)C(=O)O)OC)OC |
Product Overview
2-(1-Carboxy-2-methylpropyl)-3-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolinium (CAS 760939-48-8), with molecular formula C24H28NO5+ and molecular weight 410.20 g/mol. IUPAC: 2-[3-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolin-2-ium-2-yl]-3-methylbutanoic acid.
Chemical Property Profile of 2-(1-Carboxy-2-methylpropyl)-3-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolinium
Property Insights of 2-(1-Carboxy-2-methylpropyl)-3-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolinium
The XLogP value of 4.4919 indicates that 2-(1-Carboxy-2-methylpropyl)-3-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolinium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1-Carboxy-2-methylpropyl)-3-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolinium. Following Lipinski's Rule of Five, 2-(1-Carboxy-2-methylpropyl)-3-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolinium has 1 hydrogen bond donor(s) and 4 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-(1-Carboxy-2-methylpropyl)-3-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolinium?
The CAS number of 2-(1-Carboxy-2-methylpropyl)-3-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolinium is 760939-48-8.
What is the molecular formula of 2-(1-Carboxy-2-methylpropyl)-3-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolinium?
The molecular formula of 2-(1-Carboxy-2-methylpropyl)-3-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolinium is C24H28NO5+.
What is the molecular weight of 2-(1-Carboxy-2-methylpropyl)-3-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolinium?
The molecular weight of 2-(1-Carboxy-2-methylpropyl)-3-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolinium is 410.20 g/mol.
Where can I buy 2-(1-Carboxy-2-methylpropyl)-3-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolinium?
You can request a quote for 2-(1-Carboxy-2-methylpropyl)-3-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Carboxy-2-methylpropyl)-3-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolinium?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Carboxy-2-methylpropyl)-3-(4-ethoxyphenyl)-6,7-dimethoxyisoquinolinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.