3-氟-4-硝基喹啉-1-氧化物
TL;DR: 3-氟-4-硝基喹啉-1-氧化物 (CAS 17576-63-5) is a chemical compound with molecular formula C9H5FN2O3 and molecular weight 208.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氟-4-硝基喹啉-1-氧化物
3-fluoro-4-nitro-1-oxidoquinolin-1-ium
Also Known As: Quinoline, 3-fluoro-4-nitro-, 1-oxide, 3-Fluoro-4-nitroquinoline 1-oxide, 3-fluoro-4-nitro-1-oxidoquinolin-1-ium, 3-Fluoro-4-nitroquinoline-1-oxide, Quinoline,3-fluoro-4-nitro-, 1-oxide
| Molecular Formula | C9H5FN2O3 |
|---|---|
| Molecular Weight | 208.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.02843 |
| Heavy Atoms | 15 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 17576-63-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(C=[N+]2[O-])F)[N+](=O)[O-] |
| InChIKey | NMFUNZZDIKAODM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氟-4-硝基喹啉-1-氧化物 (CAS 17576-63-5), with molecular formula C9H5FN2O3 and molecular weight 208.03 g/mol. IUPAC: 3-fluoro-4-nitro-1-oxidoquinolin-1-ium.
Chemical Property Profile of 3-氟-4-硝基喹啉-1-氧化物
Property Insights of 3-氟-4-硝基喹啉-1-氧化物
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氟-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-氟-4-硝基喹啉-1-氧化物. Following Lipinski's Rule of Five, 3-氟-4-硝基喹啉-1-氧化物 has 0 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 3-氟-4-硝基喹啉-1-氧化物?
The CAS number of 3-氟-4-硝基喹啉-1-氧化物 is 17576-63-5.
What is the molecular formula of 3-氟-4-硝基喹啉-1-氧化物?
The molecular formula of 3-氟-4-硝基喹啉-1-氧化物 is C9H5FN2O3.
What is the molecular weight of 3-氟-4-硝基喹啉-1-氧化物?
The molecular weight of 3-氟-4-硝基喹啉-1-氧化物 is 208.03 g/mol.
Where can I buy 3-氟-4-硝基喹啉-1-氧化物?
You can request a quote for 3-氟-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-氟-4-硝基喹啉-1-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 3-氟-4-硝基喹啉-1-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.