5-Nitro-1,2-dihydroisoquinolin-1-one
TL;DR: 5-Nitro-1,2-dihydroisoquinolin-1-one (CAS 82827-08-5) is a chemical compound with molecular formula C9H6N2O3 and molecular weight 190.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2H-isoquinolin-1-one
Also Known As: 5-Nitroisoquinolin-1(2H)-one, 5-nitro-1(2H)-isoquinolinone, 5-nitro-2H-isoquinolin-1-one, 5-nitroisoquinolone, 5-nitroisoquinolin-1-ol
| Molecular Formula | C9H6N2O3 |
|---|---|
| Molecular Weight | 190.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.03784 |
| Heavy Atoms | 14 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 82827-08-5 |
|---|---|
| SMILES | C1=CC2=C(C=CNC2=O)C(=C1)[N+](=O)[O-] |
| InChIKey | GMDPUTAUKHHDCI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Nitro-1,2-dihydroisoquinolin-1-one (CAS 82827-08-5), with molecular formula C9H6N2O3 and molecular weight 190.04 g/mol. IUPAC: 5-nitro-2H-isoquinolin-1-one.
Chemical Property Profile of 5-Nitro-1,2-dihydroisoquinolin-1-one
Property Insights of 5-Nitro-1,2-dihydroisoquinolin-1-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-1,2-dihydroisoquinolin-1-one. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-1,2-dihydroisoquinolin-1-one. Following Lipinski's Rule of Five, 5-Nitro-1,2-dihydroisoquinolin-1-one has 1 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 5-Nitro-1,2-dihydroisoquinolin-1-one?
The CAS number of 5-Nitro-1,2-dihydroisoquinolin-1-one is 82827-08-5.
What is the molecular formula of 5-Nitro-1,2-dihydroisoquinolin-1-one?
The molecular formula of 5-Nitro-1,2-dihydroisoquinolin-1-one is C9H6N2O3.
What is the molecular weight of 5-Nitro-1,2-dihydroisoquinolin-1-one?
The molecular weight of 5-Nitro-1,2-dihydroisoquinolin-1-one is 190.04 g/mol.
Where can I buy 5-Nitro-1,2-dihydroisoquinolin-1-one?
You can request a quote for 5-Nitro-1,2-dihydroisoquinolin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-1,2-dihydroisoquinolin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-1,2-dihydroisoquinolin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.