8-methylisoquinolin-1(2H)-one
TL;DR: 8-methylisoquinolin-1(2H)-one (CAS 116409-35-9) is a chemical compound with molecular formula C10H9NO and molecular weight 159.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methyl-2H-isoquinolin-1-one
Also Known As: 8-methylisoquinolin-1(2H)-one, 8-methyl-2H-isoquinolin-1-one, 8-methyl-1-isoquinoline, 1(2H)-Isoquinolinone, 8-methyl-, 1-Hydroxy-8-methylisoquinoline
| Molecular Formula | C10H9NO |
|---|---|
| Molecular Weight | 159.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.06842 |
| Heavy Atoms | 12 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 116409-35-9 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C=CNC2=O |
| InChIKey | WXJVQHWAFBGNLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-methylisoquinolin-1(2H)-one (CAS 116409-35-9), with molecular formula C10H9NO and molecular weight 159.07 g/mol. IUPAC: 8-methyl-2H-isoquinolin-1-one.
Chemical Property Profile of 8-methylisoquinolin-1(2H)-one
Property Insights of 8-methylisoquinolin-1(2H)-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-methylisoquinolin-1(2H)-one. With a topological polar surface area (TPSA) of 29.1 Ų, 8-methylisoquinolin-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-methylisoquinolin-1(2H)-one has 1 hydrogen bond donor(s) and 1 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 8-methylisoquinolin-1(2H)-one?
The CAS number of 8-methylisoquinolin-1(2H)-one is 116409-35-9.
What is the molecular formula of 8-methylisoquinolin-1(2H)-one?
The molecular formula of 8-methylisoquinolin-1(2H)-one is C10H9NO.
What is the molecular weight of 8-methylisoquinolin-1(2H)-one?
The molecular weight of 8-methylisoquinolin-1(2H)-one is 159.07 g/mol.
Where can I buy 8-methylisoquinolin-1(2H)-one?
You can request a quote for 8-methylisoquinolin-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-methylisoquinolin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 8-methylisoquinolin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.