4-Nitrosoquinoline-1-oxide
TL;DR: 4-Nitrosoquinoline-1-oxide (CAS 1130-69-4) is a chemical compound with molecular formula C9H6N2O2 and molecular weight 174.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitroso-1-oxidoquinolin-1-ium
Also Known As: 4-Nitrosoquinoline 1-oxide, 4-Nitrosoquinoline-1-oxide, 4-Nitrosochinolin-1-oxid, 4-nitrosoquinoline-N-oxide, 4-nitroso-1-oxidoquinolin-1-ium
| Molecular Formula | C9H6N2O2 |
|---|---|
| Molecular Weight | 174.04 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 54.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 174.04292 |
| Heavy Atoms | 13 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 1130-69-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=[N+]2[O-])N=O |
| InChIKey | HDODESNNQIATIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrosoquinoline-1-oxide (CAS 1130-69-4), with molecular formula C9H6N2O2 and molecular weight 174.04 g/mol. IUPAC: 4-nitroso-1-oxidoquinolin-1-ium.
Chemical Property Profile of 4-Nitrosoquinoline-1-oxide
Property Insights of 4-Nitrosoquinoline-1-oxide
The XLogP value of -0.2 indicates that 4-Nitrosoquinoline-1-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.9 Ų, 4-Nitrosoquinoline-1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Nitrosoquinoline-1-oxide 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 4-Nitrosoquinoline-1-oxide?
The CAS number of 4-Nitrosoquinoline-1-oxide is 1130-69-4.
What is the molecular formula of 4-Nitrosoquinoline-1-oxide?
The molecular formula of 4-Nitrosoquinoline-1-oxide is C9H6N2O2.
What is the molecular weight of 4-Nitrosoquinoline-1-oxide?
The molecular weight of 4-Nitrosoquinoline-1-oxide is 174.04 g/mol.
Where can I buy 4-Nitrosoquinoline-1-oxide?
You can request a quote for 4-Nitrosoquinoline-1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrosoquinoline-1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrosoquinoline-1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.