4-hydroxy-3-methyl-2H-isoquinolin-1-one
TL;DR: 4-hydroxy-3-methyl-2H-isoquinolin-1-one (CAS 13972-97-9) is a chemical compound with molecular formula C10H9NO2 and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-methyl-2H-isoquinolin-1-one
Also Known As: 4-hydroxy-3-methylisoquinolin-1(2h)-one, 4-hydroxy-3-methyl-2H-isoquinolin-1-one, 3-methylisoquinoline-1,4-diol, methyl 1,4-dihydroxyisoquinoline, 1(2H)-Isoquinolinone,4-hydroxy-3-methyl-
| Molecular Formula | C10H9NO2 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.06332 |
| Heavy Atoms | 13 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 13972-97-9 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2C(=O)N1)O |
| InChIKey | HLDXZKOSCHBYGA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-hydroxy-3-methyl-2H-isoquinolin-1-one (CAS 13972-97-9), with molecular formula C10H9NO2 and molecular weight 175.06 g/mol. IUPAC: 4-hydroxy-3-methyl-2H-isoquinolin-1-one.
Chemical Property Profile of 4-hydroxy-3-methyl-2H-isoquinolin-1-one
Property Insights of 4-hydroxy-3-methyl-2H-isoquinolin-1-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-hydroxy-3-methyl-2H-isoquinolin-1-one. With a topological polar surface area (TPSA) of 49.3 Ų, 4-hydroxy-3-methyl-2H-isoquinolin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-hydroxy-3-methyl-2H-isoquinolin-1-one has 2 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 4-hydroxy-3-methyl-2H-isoquinolin-1-one?
The CAS number of 4-hydroxy-3-methyl-2H-isoquinolin-1-one is 13972-97-9.
What is the molecular formula of 4-hydroxy-3-methyl-2H-isoquinolin-1-one?
The molecular formula of 4-hydroxy-3-methyl-2H-isoquinolin-1-one is C10H9NO2.
What is the molecular weight of 4-hydroxy-3-methyl-2H-isoquinolin-1-one?
The molecular weight of 4-hydroxy-3-methyl-2H-isoquinolin-1-one is 175.06 g/mol.
Where can I buy 4-hydroxy-3-methyl-2H-isoquinolin-1-one?
You can request a quote for 4-hydroxy-3-methyl-2H-isoquinolin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-hydroxy-3-methyl-2H-isoquinolin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-hydroxy-3-methyl-2H-isoquinolin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.