4-硝基喹啉-N-氧化物
TL;DR: 4-硝基喹啉-N-氧化物 (CAS 56-57-5) 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.
4-硝基喹啉-N-氧化物
4-nitro-1-oxidoquinolin-1-ium
Also Known As: 4-Nitroquinoline N-oxide, 4-Nitroquinoline 1-oxide, Nitrochin, 4-Nitroquinoline-1-oxide, 4-NITROQUINOLINE-N-OXIDE
| Molecular Formula | C9H6N2O3 |
|---|---|
| Molecular Weight | 190.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.03784 |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
| Melting Point | 153.9 °C |
| Solubility | less than 1 mg/mL at 66 °F (NTP, 1992) |
| Vapor Pressure | 0.0000026 [mmHg] |
Chemical Identifiers
| CAS Number | 56-57-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=[N+]2[O-])[N+](=O)[O-] |
| InChIKey | YHQDZJICGQWFHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-硝基喹啉-N-氧化物 (CAS 56-57-5), with molecular formula C9H6N2O3 and molecular weight 190.04 g/mol. IUPAC: 4-nitro-1-oxidoquinolin-1-ium.
Chemical Property Profile of 4-硝基喹啉-N-氧化物
Property Insights of 4-硝基喹啉-N-氧化物
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-硝基喹啉-N-氧化物. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-硝基喹啉-N-氧化物. Following Lipinski's Rule of Five, 4-硝基喹啉-N-氧化物 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-硝基喹啉-N-氧化物?
The CAS number of 4-硝基喹啉-N-氧化物 is 56-57-5.
What is the molecular formula of 4-硝基喹啉-N-氧化物?
The molecular formula of 4-硝基喹啉-N-氧化物 is C9H6N2O3.
What is the molecular weight of 4-硝基喹啉-N-氧化物?
The molecular weight of 4-硝基喹啉-N-氧化物 is 190.04 g/mol.
Where can I buy 4-硝基喹啉-N-氧化物?
You can request a quote for 4-硝基喹啉-N-氧化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-硝基喹啉-N-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 4-硝基喹啉-N-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.