3-(4-Nitrophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate
TL;DR: 3-(4-Nitrophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate (CAS 80862-32-4) is a chemical compound with molecular formula C7H4N4O4 and molecular weight 208.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-nitrophenyl)oxatriazol-3-ium-5-olate
Also Known As: 3-(4-nitrophenyl)azasydnone, 3-(4-nitrophenyl)oxatriazol-3-ium-5-olate, 3-(4-nitrophenyl)-1,2,3,4-oxatriazol-5-ol, 3-(4-nitrophenyl)-2H-oxatriazol-3-ium-5-one, 3-(4-nitrophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate
| Molecular Formula | C7H4N4O4 |
|---|---|
| Molecular Weight | 208.02 g/mol |
| LogP | -0.6719 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.02325 |
| Heavy Atoms | 15 |
| Complexity | 491.94623 |
Chemical Identifiers
| CAS Number | 80862-32-4 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+]2=NOC(=N2)[O-])[N+](=O)[O-] |
Product Overview
3-(4-Nitrophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate (CAS 80862-32-4), with molecular formula C7H4N4O4 and molecular weight 208.02 g/mol. IUPAC: 3-(4-nitrophenyl)oxatriazol-3-ium-5-olate.
Chemical Property Profile of 3-(4-Nitrophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate
Property Insights of 3-(4-Nitrophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate
The XLogP value of -0.6719 indicates that 3-(4-Nitrophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Nitrophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate. Following Lipinski's Rule of Five, 3-(4-Nitrophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate has 0 hydrogen bond donor(s) and 6 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-(4-Nitrophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate?
The CAS number of 3-(4-Nitrophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate is 80862-32-4.
What is the molecular formula of 3-(4-Nitrophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate?
The molecular formula of 3-(4-Nitrophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate is C7H4N4O4.
What is the molecular weight of 3-(4-Nitrophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate?
The molecular weight of 3-(4-Nitrophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate is 208.02 g/mol.
Where can I buy 3-(4-Nitrophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate?
You can request a quote for 3-(4-Nitrophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Nitrophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Nitrophenyl)-1,2,3,4-oxatriazol-3-ium-5-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.