5-methoxy-2-methylisoquinolin-1(2H)-one
TL;DR: 5-methoxy-2-methylisoquinolin-1(2H)-one (CAS 161427-66-3) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methoxy-2-methylisoquinolin-1-one
Also Known As: 5-methoxy-2-methylisoquinolin-1(2H)-one, 5-methoxy-2-methylisoquinolin-1-one, 5-Methoxy-2-methyl-1(2h)-isoquinolinone, F2621-0001
Technical Specifications
| Molecular Formula | C11H11NO2 |
| Molecular Weight | 189.07898 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.07898 Da |
| Heavy Atoms | 14 |
| Complexity | 262.0 |
| SMILES | CN1C=CC2=C(C1=O)C=CC=C2OC |
| InChIKey | HUKZEMKDFHBIOG-UHFFFAOYSA-N |
Chemical Property Profile of 5-methoxy-2-methylisoquinolin-1(2H)-one
Property Insights of 5-methoxy-2-methylisoquinolin-1(2H)-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methoxy-2-methylisoquinolin-1(2H)-one. With a topological polar surface area (TPSA) of 29.5 Ų, 5-methoxy-2-methylisoquinolin-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-methoxy-2-methylisoquinolin-1(2H)-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-methoxy-2-methylisoquinolin-1(2H)-one?
The CAS number of 5-methoxy-2-methylisoquinolin-1(2H)-one is 161427-66-3.
What is the molecular formula of 5-methoxy-2-methylisoquinolin-1(2H)-one?
The molecular formula of 5-methoxy-2-methylisoquinolin-1(2H)-one is C11H11NO2.
What is the molecular weight of 5-methoxy-2-methylisoquinolin-1(2H)-one?
The molecular weight of 5-methoxy-2-methylisoquinolin-1(2H)-one is 189.07898 g/mol.
Where can I buy 5-methoxy-2-methylisoquinolin-1(2H)-one?
You can request a quote for 5-methoxy-2-methylisoquinolin-1(2H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-methoxy-2-methylisoquinolin-1(2H)-one?
Yes, CoreyChem provides custom synthesis services for 5-methoxy-2-methylisoquinolin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.