4,5-Dinitroquinoline 1-oxide
TL;DR: 4,5-Dinitroquinoline 1-oxide (CAS 16238-73-6) is a chemical compound with molecular formula C9H5N3O5 and molecular weight 235.02292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5-dinitro-1-oxidoquinolin-1-ium
Also Known As: 4,5-Dinitroquinoline 1-oxide, 4,5-Dinitroquinoline N-oxide, Quinoline, 4,5-dinitro-, 1-oxide, 4,5-dinitro-1-oxidoquinolin-1-ium, Quinoline,5-dinitro-, 1-oxide
Technical Specifications
| Molecular Formula | C9H5N3O5 |
| Molecular Weight | 235.02292 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.02292 Da |
| Heavy Atoms | 17 |
| Complexity | 326.0 |
| SMILES | C1=CC2=[N+](C=CC(=C2C(=C1)[N+](=O)[O-])[N+](=O)[O-])[O-] |
| InChIKey | VJEAOAHNLWAJGZ-UHFFFAOYSA-N |
Chemical Property Profile of 4,5-Dinitroquinoline 1-oxide
Property Insights of 4,5-Dinitroquinoline 1-oxide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dinitroquinoline 1-oxide. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dinitroquinoline 1-oxide. Following Lipinski's Rule of Five, 4,5-Dinitroquinoline 1-oxide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,5-Dinitroquinoline 1-oxide?
The CAS number of 4,5-Dinitroquinoline 1-oxide is 16238-73-6.
What is the molecular formula of 4,5-Dinitroquinoline 1-oxide?
The molecular formula of 4,5-Dinitroquinoline 1-oxide is C9H5N3O5.
What is the molecular weight of 4,5-Dinitroquinoline 1-oxide?
The molecular weight of 4,5-Dinitroquinoline 1-oxide is 235.02292 g/mol.
Where can I buy 4,5-Dinitroquinoline 1-oxide?
You can request a quote for 4,5-Dinitroquinoline 1-oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,5-Dinitroquinoline 1-oxide?
Yes, CoreyChem provides custom synthesis services for 4,5-Dinitroquinoline 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.