3,5-Dinitroquinoline 1-oxide
TL;DR: 3,5-Dinitroquinoline 1-oxide (CAS 6345-98-8) is a chemical compound with molecular formula C9H5N3O5 and molecular weight 235.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dinitro-1-oxidoquinolin-1-ium
Also Known As: 3,5-Dinitroquinoline 1-oxide, Quinoline, 3,5-dinitro-, 1-oxide, 3,5-dinitro-1-oxidoquinolin-1-ium, 3,5-Dinitro-1-oxo-1lambda~5~-quinoline
| Molecular Formula | C9H5N3O5 |
|---|---|
| Molecular Weight | 235.02 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.02292 |
| Heavy Atoms | 17 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 6345-98-8 |
|---|---|
| SMILES | C1=CC2=C(C=C(C=[N+]2[O-])[N+](=O)[O-])C(=C1)[N+](=O)[O-] |
| InChIKey | NEVAXGHVBXBVFX-UHFFFAOYSA-N |
Product Overview
3,5-Dinitroquinoline 1-oxide (CAS 6345-98-8), with molecular formula C9H5N3O5 and molecular weight 235.02 g/mol. IUPAC: 3,5-dinitro-1-oxidoquinolin-1-ium.
Chemical Property Profile of 3,5-Dinitroquinoline 1-oxide
Property Insights of 3,5-Dinitroquinoline 1-oxide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dinitroquinoline 1-oxide. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dinitroquinoline 1-oxide. Following Lipinski's Rule of Five, 3,5-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
Frequently Asked Questions
What is the CAS number of 3,5-Dinitroquinoline 1-oxide?
The CAS number of 3,5-Dinitroquinoline 1-oxide is 6345-98-8.
What is the molecular formula of 3,5-Dinitroquinoline 1-oxide?
The molecular formula of 3,5-Dinitroquinoline 1-oxide is C9H5N3O5.
What is the molecular weight of 3,5-Dinitroquinoline 1-oxide?
The molecular weight of 3,5-Dinitroquinoline 1-oxide is 235.02 g/mol.
Where can I buy 3,5-Dinitroquinoline 1-oxide?
You can request a quote for 3,5-Dinitroquinoline 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dinitroquinoline 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dinitroquinoline 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.