2-Methyl-5-nitro-2H-isoquinolin-1-one
TL;DR: 2-Methyl-5-nitro-2H-isoquinolin-1-one (CAS 42792-96-1) is a chemical compound with molecular formula C10H8N2O3 and molecular weight 204.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-nitroisoquinolin-1-one
Also Known As: 2-methyl-5-nitroisoquinolin-1(2H)-one, 2-methyl-5-nitroisoquinolin-1-one, 2-METHYL-5-NITRO-2H-ISOQUINOLIN-1-ONE, 2-methyl-5-nitro-1,2-dihydroisoquinolin-1-one, 2-methyl-5-nitro-1(2H)-isoquinolinone
| Molecular Formula | C10H8N2O3 |
|---|---|
| Molecular Weight | 204.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.0535 |
| Heavy Atoms | 15 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 42792-96-1 |
|---|---|
| SMILES | CN1C=CC2=C(C1=O)C=CC=C2[N+](=O)[O-] |
| InChIKey | ZJFKSSNHLIRRHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-5-nitro-2H-isoquinolin-1-one (CAS 42792-96-1), with molecular formula C10H8N2O3 and molecular weight 204.05 g/mol. IUPAC: 2-methyl-5-nitroisoquinolin-1-one.
Chemical Property Profile of 2-Methyl-5-nitro-2H-isoquinolin-1-one
Property Insights of 2-Methyl-5-nitro-2H-isoquinolin-1-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-5-nitro-2H-isoquinolin-1-one. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-5-nitro-2H-isoquinolin-1-one. Following Lipinski's Rule of Five, 2-Methyl-5-nitro-2H-isoquinolin-1-one has 0 hydrogen bond donor(s) and 3 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 2-Methyl-5-nitro-2H-isoquinolin-1-one?
The CAS number of 2-Methyl-5-nitro-2H-isoquinolin-1-one is 42792-96-1.
What is the molecular formula of 2-Methyl-5-nitro-2H-isoquinolin-1-one?
The molecular formula of 2-Methyl-5-nitro-2H-isoquinolin-1-one is C10H8N2O3.
What is the molecular weight of 2-Methyl-5-nitro-2H-isoquinolin-1-one?
The molecular weight of 2-Methyl-5-nitro-2H-isoquinolin-1-one is 204.05 g/mol.
Where can I buy 2-Methyl-5-nitro-2H-isoquinolin-1-one?
You can request a quote for 2-Methyl-5-nitro-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 2-Methyl-5-nitro-2H-isoquinolin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-nitro-2H-isoquinolin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.