1-hydroxy-4-nitroso-2H-isoquinolin-3-one
TL;DR: 1-hydroxy-4-nitroso-2H-isoquinolin-3-one (CAS 56055-60-8) 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.
1-hydroxy-4-nitroso-2H-isoquinolin-3-one
Also Known As: Isoquinoline-1,3,4-trione 4-oxime, 4-hydroxyiminoisoquinoline-1,3-dione, 1-hydroxy-4-nitroso-2H-isoquinolin-3-one, (4Z)-4-(Hydroxyimino)isoquinoline-1,3(2H,4H)-dione
| Molecular Formula | C9H6N2O3 |
|---|---|
| Molecular Weight | 190.04 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 78.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.03784 |
| Heavy Atoms | 14 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 56055-60-8 |
|---|---|
| SMILES | C1=CC2=C(C(=O)NC(=C2C=C1)O)N=O |
| InChIKey | GLDJVVQRDOXJOK-UHFFFAOYSA-N |
Product Overview
1-hydroxy-4-nitroso-2H-isoquinolin-3-one (CAS 56055-60-8), with molecular formula C9H6N2O3 and molecular weight 190.04 g/mol. IUPAC: 1-hydroxy-4-nitroso-2H-isoquinolin-3-one.
Chemical Property Profile of 1-hydroxy-4-nitroso-2H-isoquinolin-3-one
Property Insights of 1-hydroxy-4-nitroso-2H-isoquinolin-3-one
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-hydroxy-4-nitroso-2H-isoquinolin-3-one. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-hydroxy-4-nitroso-2H-isoquinolin-3-one. Following Lipinski's Rule of Five, 1-hydroxy-4-nitroso-2H-isoquinolin-3-one has 2 hydrogen bond donor(s) and 4 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-hydroxy-4-nitroso-2H-isoquinolin-3-one?
The CAS number of 1-hydroxy-4-nitroso-2H-isoquinolin-3-one is 56055-60-8.
What is the molecular formula of 1-hydroxy-4-nitroso-2H-isoquinolin-3-one?
The molecular formula of 1-hydroxy-4-nitroso-2H-isoquinolin-3-one is C9H6N2O3.
What is the molecular weight of 1-hydroxy-4-nitroso-2H-isoquinolin-3-one?
The molecular weight of 1-hydroxy-4-nitroso-2H-isoquinolin-3-one is 190.04 g/mol.
Where can I buy 1-hydroxy-4-nitroso-2H-isoquinolin-3-one?
You can request a quote for 1-hydroxy-4-nitroso-2H-isoquinolin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-hydroxy-4-nitroso-2H-isoquinolin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1-hydroxy-4-nitroso-2H-isoquinolin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.