6-Methoxy-1-methylisoquinolin-3(2H)-one
TL;DR: 6-Methoxy-1-methylisoquinolin-3(2H)-one (CAS 140683-35-8) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methoxy-1-methyl-2H-isoquinolin-3-one
Also Known As: ChemDiv3_014976, 6-methoxy-1-methylisoquinolin-3-ol, 1-METHYL-6-METHOXYISOQUINOLINOL, 6-Methoxy-1-methylisoquinolin-3(2H)-one, 3(2H)-Isoquinolinone, 6-methoxy-1-methyl-
| Molecular Formula | C11H11NO2 |
|---|---|
| Molecular Weight | 189.08 g/mol |
| LogP | 1.84512 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.07898 |
| Heavy Atoms | 14 |
| Complexity | 528.2888 |
Chemical Identifiers
| CAS Number | 140683-35-8 |
|---|---|
| SMILES | CC1=C2C=CC(=CC2=CC(=O)N1)OC |
Product Overview
6-Methoxy-1-methylisoquinolin-3(2H)-one (CAS 140683-35-8), with molecular formula C11H11NO2 and molecular weight 189.08 g/mol. IUPAC: 6-methoxy-1-methyl-2H-isoquinolin-3-one.
Chemical Property Profile of 6-Methoxy-1-methylisoquinolin-3(2H)-one
Property Insights of 6-Methoxy-1-methylisoquinolin-3(2H)-one
The XLogP value of 1.84512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methoxy-1-methylisoquinolin-3(2H)-one. With a topological polar surface area (TPSA) of 42.09 Ų, 6-Methoxy-1-methylisoquinolin-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methoxy-1-methylisoquinolin-3(2H)-one has 1 hydrogen bond donor(s) and 2 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 6-Methoxy-1-methylisoquinolin-3(2H)-one?
The CAS number of 6-Methoxy-1-methylisoquinolin-3(2H)-one is 140683-35-8.
What is the molecular formula of 6-Methoxy-1-methylisoquinolin-3(2H)-one?
The molecular formula of 6-Methoxy-1-methylisoquinolin-3(2H)-one is C11H11NO2.
What is the molecular weight of 6-Methoxy-1-methylisoquinolin-3(2H)-one?
The molecular weight of 6-Methoxy-1-methylisoquinolin-3(2H)-one is 189.08 g/mol.
Where can I buy 6-Methoxy-1-methylisoquinolin-3(2H)-one?
You can request a quote for 6-Methoxy-1-methylisoquinolin-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methoxy-1-methylisoquinolin-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Methoxy-1-methylisoquinolin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.