5,6,7-Trimethoxy-1(2H)-isoquinolinone
TL;DR: 5,6,7-Trimethoxy-1(2H)-isoquinolinone (CAS 26829-55-0) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6,7-trimethoxy-2H-isoquinolin-1-one
Also Known As: 5,6,7-trimethoxyisoquinolin-1-ol, 5,6,7-trimethoxy-2H-isoquinolin-1-one, 5,6,7-trimethoxy-1-isoquinolinol, 5,6,7-TRIMETHOXYISOCARBOSTYRIL, 5,6,7-Trimethoxy-1(2H)-isoquinolinone
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 1.5539 |
| Topological Polar Surface Area | 60.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 603.2125 |
Chemical Identifiers
| CAS Number | 26829-55-0 |
|---|---|
| SMILES | COC1=C(C(=C2C=CNC(=O)C2=C1)OC)OC |
Product Overview
5,6,7-Trimethoxy-1(2H)-isoquinolinone (CAS 26829-55-0), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: 5,6,7-trimethoxy-2H-isoquinolin-1-one.
Chemical Property Profile of 5,6,7-Trimethoxy-1(2H)-isoquinolinone
Property Insights of 5,6,7-Trimethoxy-1(2H)-isoquinolinone
The XLogP value of 1.5539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6,7-Trimethoxy-1(2H)-isoquinolinone. The TPSA of 60.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6,7-Trimethoxy-1(2H)-isoquinolinone. Following Lipinski's Rule of Five, 5,6,7-Trimethoxy-1(2H)-isoquinolinone 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 5,6,7-Trimethoxy-1(2H)-isoquinolinone?
The CAS number of 5,6,7-Trimethoxy-1(2H)-isoquinolinone is 26829-55-0.
What is the molecular formula of 5,6,7-Trimethoxy-1(2H)-isoquinolinone?
The molecular formula of 5,6,7-Trimethoxy-1(2H)-isoquinolinone is C12H13NO4.
What is the molecular weight of 5,6,7-Trimethoxy-1(2H)-isoquinolinone?
The molecular weight of 5,6,7-Trimethoxy-1(2H)-isoquinolinone is 235.08 g/mol.
Where can I buy 5,6,7-Trimethoxy-1(2H)-isoquinolinone?
You can request a quote for 5,6,7-Trimethoxy-1(2H)-isoquinolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6,7-Trimethoxy-1(2H)-isoquinolinone?
Yes, KEHONG BIO provides custom synthesis services for 5,6,7-Trimethoxy-1(2H)-isoquinolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.