Propanoic acid, 2-methyl-, 1-(2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxyphenyl)ethenyl ester
TL;DR: Propanoic acid, 2-methyl-, 1-(2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxyphenyl)ethenyl ester (CAS 81456-60-2) is a chemical compound with molecular formula C26H29NO6 and molecular weight 451.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]ethenyl 2-methylpropanoate
Also Known As: Propanoic acid, 2-methyl-, 1-(2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxyphenyl)ethenyl ester, 1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]ethenyl 2-methylpropanoate, 1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]ethenyl 2-methylpropanoate, 1-{2-[(6,7-Dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}ethen-1-yl 2-methylpropanoate
| Molecular Formula | C26H29NO6 |
|---|---|
| Molecular Weight | 451.20 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 451.1995 |
| Heavy Atoms | 33 |
| Complexity | 655.0 |
Chemical Identifiers
| CAS Number | 81456-60-2 |
|---|---|
| SMILES | CC(C)C(=O)OC(=C)C1=CC(=C(C=C1CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC)OC |
| InChIKey | ORNCPWOYOZVSIS-UHFFFAOYSA-N |
Product Overview
Propanoic acid, 2-methyl-, 1-(2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxyphenyl)ethenyl ester (CAS 81456-60-2), with molecular formula C26H29NO6 and molecular weight 451.20 g/mol. IUPAC: 1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]ethenyl 2-methylpropanoate.
Chemical Property Profile of Propanoic acid, 2-methyl-, 1-(2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxyphenyl)ethenyl ester
Property Insights of Propanoic acid, 2-methyl-, 1-(2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxyphenyl)ethenyl ester
The XLogP value of 5.3 indicates that Propanoic acid, 2-methyl-, 1-(2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxyphenyl)ethenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanoic acid, 2-methyl-, 1-(2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxyphenyl)ethenyl ester. Following Lipinski's Rule of Five, Propanoic acid, 2-methyl-, 1-(2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxyphenyl)ethenyl ester has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propanoic acid, 2-methyl-, 1-(2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxyphenyl)ethenyl ester?
The CAS number of Propanoic acid, 2-methyl-, 1-(2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxyphenyl)ethenyl ester is 81456-60-2.
What is the molecular formula of Propanoic acid, 2-methyl-, 1-(2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxyphenyl)ethenyl ester?
The molecular formula of Propanoic acid, 2-methyl-, 1-(2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxyphenyl)ethenyl ester is C26H29NO6.
What is the molecular weight of Propanoic acid, 2-methyl-, 1-(2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxyphenyl)ethenyl ester?
The molecular weight of Propanoic acid, 2-methyl-, 1-(2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxyphenyl)ethenyl ester is 451.20 g/mol.
Where can I buy Propanoic acid, 2-methyl-, 1-(2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxyphenyl)ethenyl ester?
You can request a quote for Propanoic acid, 2-methyl-, 1-(2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxyphenyl)ethenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2-methyl-, 1-(2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxyphenyl)ethenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-methyl-, 1-(2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxyphenyl)ethenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.