Benzenemethanol, 2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxy-alpha-methylene-, acetate (ester)
TL;DR: Benzenemethanol, 2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxy-alpha-methylene-, acetate (ester) (CAS 81456-59-9) is a chemical compound with molecular formula C24H25NO6 and molecular weight 423.17 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 acetate
Also Known As: Benzenemethanol, 2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxy-alpha-methylene-, acetate (ester), 1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]ethenyl Acetate, 1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]ethenyl acetate, 1-{2-[(6,7-Dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}ethen-1-yl acetate
| Molecular Formula | C24H25NO6 |
|---|---|
| Molecular Weight | 423.17 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 423.16818 |
| Heavy Atoms | 31 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 81456-59-9 |
|---|---|
| SMILES | CC(=O)OC(=C)C1=CC(=C(C=C1CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC)OC |
| InChIKey | NPKUSRULVRMTGT-UHFFFAOYSA-N |
Product Overview
Benzenemethanol, 2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxy-alpha-methylene-, acetate (ester) (CAS 81456-59-9), with molecular formula C24H25NO6 and molecular weight 423.17 g/mol. IUPAC: 1-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]ethenyl acetate.
Chemical Property Profile of Benzenemethanol, 2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxy-alpha-methylene-, acetate (ester)
Property Insights of Benzenemethanol, 2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxy-alpha-methylene-, acetate (ester)
The XLogP value of 4.3 indicates that Benzenemethanol, 2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxy-alpha-methylene-, acetate (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 Benzenemethanol, 2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxy-alpha-methylene-, acetate (ester). Following Lipinski's Rule of Five, Benzenemethanol, 2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxy-alpha-methylene-, acetate (ester) has 0 hydrogen bond donor(s) and 7 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 Benzenemethanol, 2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxy-alpha-methylene-, acetate (ester)?
The CAS number of Benzenemethanol, 2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxy-alpha-methylene-, acetate (ester) is 81456-59-9.
What is the molecular formula of Benzenemethanol, 2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxy-alpha-methylene-, acetate (ester)?
The molecular formula of Benzenemethanol, 2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxy-alpha-methylene-, acetate (ester) is C24H25NO6.
What is the molecular weight of Benzenemethanol, 2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxy-alpha-methylene-, acetate (ester)?
The molecular weight of Benzenemethanol, 2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxy-alpha-methylene-, acetate (ester) is 423.17 g/mol.
Where can I buy Benzenemethanol, 2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxy-alpha-methylene-, acetate (ester)?
You can request a quote for Benzenemethanol, 2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxy-alpha-methylene-, acetate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenemethanol, 2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxy-alpha-methylene-, acetate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Benzenemethanol, 2-((6,7-dimethoxy-1-isoquinolinyl)methyl)-4,5-dimethoxy-alpha-methylene-, acetate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.