1(2H)-Isoquinolinone, 2-methyl-
TL;DR: 1(2H)-Isoquinolinone, 2-methyl- (CAS 4594-71-2) 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.
2-methylisoquinolin-1-one
Also Known As: 2-Methylisoquinolin-1(2H)-one, N-Methylisocarbostyril, 2-methylisoquinolin-1-one, 2-methylisoquinolinone, 2-METHYL-1(2H)-ISOQUINOLONE
| Molecular Formula | C10H9NO |
|---|---|
| Molecular Weight | 159.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.06842 |
| Heavy Atoms | 12 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 4594-71-2 |
|---|---|
| SMILES | CN1C=CC2=CC=CC=C2C1=O |
| InChIKey | YJRMHIKEMDTYDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1(2H)-Isoquinolinone, 2-methyl- (CAS 4594-71-2), with molecular formula C10H9NO and molecular weight 159.07 g/mol. IUPAC: 2-methylisoquinolin-1-one.
Chemical Property Profile of 1(2H)-Isoquinolinone, 2-methyl-
Property Insights of 1(2H)-Isoquinolinone, 2-methyl-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(2H)-Isoquinolinone, 2-methyl-. With a topological polar surface area (TPSA) of 20.3 Ų, 1(2H)-Isoquinolinone, 2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(2H)-Isoquinolinone, 2-methyl- has 0 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 1(2H)-Isoquinolinone, 2-methyl-?
The CAS number of 1(2H)-Isoquinolinone, 2-methyl- is 4594-71-2.
What is the molecular formula of 1(2H)-Isoquinolinone, 2-methyl-?
The molecular formula of 1(2H)-Isoquinolinone, 2-methyl- is C10H9NO.
What is the molecular weight of 1(2H)-Isoquinolinone, 2-methyl-?
The molecular weight of 1(2H)-Isoquinolinone, 2-methyl- is 159.07 g/mol.
Where can I buy 1(2H)-Isoquinolinone, 2-methyl-?
You can request a quote for 1(2H)-Isoquinolinone, 2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(2H)-Isoquinolinone, 2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1(2H)-Isoquinolinone, 2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.