6-氯-4-硝基喹啉1-氧化物
TL;DR: 6-氯-4-硝基喹啉1-氧化物 (CAS 3741-12-6) is a chemical compound with molecular formula C9H5ClN2O3 and molecular weight 224.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-氯-4-硝基喹啉1-氧化物
6-chloro-4-nitro-1-oxidoquinolin-1-ium
Also Known As: 6-Chloro-4-nitroquinoline 1-oxide, Quinoline, 6-chloro-4-nitro-, 1-oxide, 6-chloro-4-nitroquinolin-1-ium-1-olate, chloro-4-nitroquinoline-n-oxide, 6-, Quinoline,6-chloro-4-nitro-, 1-oxide
| Molecular Formula | C9H5ClN2O3 |
|---|---|
| Molecular Weight | 224.00 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 | 223.99887 |
| Heavy Atoms | 15 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 3741-12-6 |
|---|---|
| SMILES | C1=CC2=[N+](C=CC(=C2C=C1Cl)[N+](=O)[O-])[O-] |
| InChIKey | WJRQJTJYCZGDBW-UHFFFAOYSA-N |
Product Overview
6-氯-4-硝基喹啉1-氧化物 (CAS 3741-12-6), with molecular formula C9H5ClN2O3 and molecular weight 224.00 g/mol. IUPAC: 6-chloro-4-nitro-1-oxidoquinolin-1-ium.
Chemical Property Profile of 6-氯-4-硝基喹啉1-氧化物
Property Insights of 6-氯-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 6-氯-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 6-氯-4-硝基喹啉1-氧化物. Following Lipinski's Rule of Five, 6-氯-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 6-氯-4-硝基喹啉1-氧化物?
The CAS number of 6-氯-4-硝基喹啉1-氧化物 is 3741-12-6.
What is the molecular formula of 6-氯-4-硝基喹啉1-氧化物?
The molecular formula of 6-氯-4-硝基喹啉1-氧化物 is C9H5ClN2O3.
What is the molecular weight of 6-氯-4-硝基喹啉1-氧化物?
The molecular weight of 6-氯-4-硝基喹啉1-氧化物 is 224.00 g/mol.
Where can I buy 6-氯-4-硝基喹啉1-氧化物?
You can request a quote for 6-氯-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 6-氯-4-硝基喹啉1-氧化物?
Yes, KEHONG BIO provides custom synthesis services for 6-氯-4-硝基喹啉1-氧化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.