(Z)-3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)acrylic acid
TL;DR: (Z)-3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)acrylic acid (CAS 858746-73-3) is a chemical compound with molecular formula C22H21NO6 and molecular weight 395.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
Also Known As: (Z)-3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)acrylic acid, (2Z)-3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid, (Z)-3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid, 3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enoic Acid
| Molecular Formula | C22H21NO6 |
|---|---|
| Molecular Weight | 395.14 g/mol |
| LogP | 3.7855 |
| Topological Polar Surface Area | 87.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 395.1369 |
| Heavy Atoms | 29 |
| Complexity | 1090.0978 |
Chemical Identifiers
| CAS Number | 858746-73-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C(=C/C(=O)O)/C2=NC=CC3=CC(=C(C=C32)OC)OC)OC |
Product Overview
(Z)-3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)acrylic acid (CAS 858746-73-3), with molecular formula C22H21NO6 and molecular weight 395.14 g/mol. IUPAC: (Z)-3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid.
Chemical Property Profile of (Z)-3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)acrylic acid
Property Insights of (Z)-3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)acrylic acid
The XLogP value of 3.7855 indicates that (Z)-3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)acrylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.11 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)acrylic acid. Following Lipinski's Rule of Five, (Z)-3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)acrylic acid 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 (Z)-3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)acrylic acid?
The CAS number of (Z)-3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)acrylic acid is 858746-73-3.
What is the molecular formula of (Z)-3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)acrylic acid?
The molecular formula of (Z)-3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)acrylic acid is C22H21NO6.
What is the molecular weight of (Z)-3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)acrylic acid?
The molecular weight of (Z)-3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)acrylic acid is 395.14 g/mol.
Where can I buy (Z)-3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)acrylic acid?
You can request a quote for (Z)-3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(6,7-dimethoxyisoquinolin-1-yl)-3-(3,4-dimethoxyphenyl)acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.