4-(6,7-Dimethoxy-1-methylisoquinolin-3-YL)benzene-1,3-diol
TL;DR: 4-(6,7-Dimethoxy-1-methylisoquinolin-3-YL)benzene-1,3-diol (CAS 35989-90-3) is a chemical compound with molecular formula C18H17NO4 and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6,7-dimethoxy-1-methylisoquinolin-3-yl)benzene-1,3-diol
Also Known As: 4-(6,7-DIMETHOXY-1-METHYLISOQUINOLIN-3-YL)BENZENE-1,3-DIOL, 4-(6,7-dimethoxy-1-methyl-2H-isoquinolin-3-ylidene)-3-hydroxycyclohexa-2,5-dien-1-one, (4Z)-4-(6,7-dimethoxy-1-methyl-2H-isoquinolin-3-ylidene)-3-hydroxycyclohexa-2,5-dien-1-one
| Molecular Formula | C18H17NO4 |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 3.63862 |
| Topological Polar Surface Area | 71.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.11575 |
| Heavy Atoms | 23 |
| Complexity | 889.8143 |
Chemical Identifiers
| CAS Number | 35989-90-3 |
|---|---|
| SMILES | CC1=NC(=CC2=CC(=C(C=C12)OC)OC)C3=C(C=C(C=C3)O)O |
Product Overview
4-(6,7-Dimethoxy-1-methylisoquinolin-3-YL)benzene-1,3-diol (CAS 35989-90-3), with molecular formula C18H17NO4 and molecular weight 311.12 g/mol. IUPAC: 4-(6,7-dimethoxy-1-methylisoquinolin-3-yl)benzene-1,3-diol.
Chemical Property Profile of 4-(6,7-Dimethoxy-1-methylisoquinolin-3-YL)benzene-1,3-diol
Property Insights of 4-(6,7-Dimethoxy-1-methylisoquinolin-3-YL)benzene-1,3-diol
The XLogP value of 3.63862 indicates that 4-(6,7-Dimethoxy-1-methylisoquinolin-3-YL)benzene-1,3-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(6,7-Dimethoxy-1-methylisoquinolin-3-YL)benzene-1,3-diol. Following Lipinski's Rule of Five, 4-(6,7-Dimethoxy-1-methylisoquinolin-3-YL)benzene-1,3-diol has 2 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 4-(6,7-Dimethoxy-1-methylisoquinolin-3-YL)benzene-1,3-diol?
The CAS number of 4-(6,7-Dimethoxy-1-methylisoquinolin-3-YL)benzene-1,3-diol is 35989-90-3.
What is the molecular formula of 4-(6,7-Dimethoxy-1-methylisoquinolin-3-YL)benzene-1,3-diol?
The molecular formula of 4-(6,7-Dimethoxy-1-methylisoquinolin-3-YL)benzene-1,3-diol is C18H17NO4.
What is the molecular weight of 4-(6,7-Dimethoxy-1-methylisoquinolin-3-YL)benzene-1,3-diol?
The molecular weight of 4-(6,7-Dimethoxy-1-methylisoquinolin-3-YL)benzene-1,3-diol is 311.12 g/mol.
Where can I buy 4-(6,7-Dimethoxy-1-methylisoquinolin-3-YL)benzene-1,3-diol?
You can request a quote for 4-(6,7-Dimethoxy-1-methylisoquinolin-3-YL)benzene-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(6,7-Dimethoxy-1-methylisoquinolin-3-YL)benzene-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 4-(6,7-Dimethoxy-1-methylisoquinolin-3-YL)benzene-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.