3-溴-4-硝基喹啉1-氧化物
TL;DR: 3-溴-4-硝基喹啉1-氧化物 (CAS 14173-58-1) is a chemical compound with molecular formula C9H5BrN2O3 and molecular weight 267.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-溴-4-硝基喹啉1-氧化物
3-bromo-4-nitro-1-oxidoquinolin-1-ium
Also Known As: 3-Bromo-4-nitroquinoline 1-oxide, Quinoline, 3-bromo-4-nitro-, 1-oxide, 3-bromo-4-nitro-1-oxidoquinolin-1-ium, 3-Bromo-4-nitroquinoline-N-oxide, 3-bromo-4-nitro-quinoline 1-oxide
| Molecular Formula | C9H5BrN2O3 |
|---|---|
| Molecular Weight | 267.95 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 267.94836 |
| Heavy Atoms | 15 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 14173-58-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(C=[N+]2[O-])Br)[N+](=O)[O-] |
| InChIKey | KVCLQGSVAXXXDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-溴-4-硝基喹啉1-氧化物 (CAS 14173-58-1), with molecular formula C9H5BrN2O3 and molecular weight 267.95 g/mol. IUPAC: 3-bromo-4-nitro-1-oxidoquinolin-1-ium.
Chemical Property Profile of 3-溴-4-硝基喹啉1-氧化物
Property Insights of 3-溴-4-硝基喹啉1-氧化物
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-溴-4-硝基喹啉1-氧化物. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-溴-4-硝基喹啉1-氧化物. Following Lipinski's Rule of Five, 3-溴-4-硝基喹啉1-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 3-溴-4-硝基喹啉1-氧化物?
The CAS number of 3-溴-4-硝基喹啉1-氧化物 is 14173-58-1.
What is the molecular formula of 3-溴-4-硝基喹啉1-氧化物?
The molecular formula of 3-溴-4-硝基喹啉1-氧化物 is C9H5BrN2O3.
What is the molecular weight of 3-溴-4-硝基喹啉1-氧化物?
The molecular weight of 3-溴-4-硝基喹啉1-氧化物 is 267.95 g/mol.
Where can I buy 3-溴-4-硝基喹啉1-氧化物?
You can request a quote for 3-溴-4-硝基喹啉1-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 3-溴-4-硝基喹啉1-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 3-溴-4-硝基喹啉1-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.