![7-(4-Nitrophenyl)-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole 3-oxide structure](/static/products/371/371226-40-3.png)
7-(4-Nitrophenyl)-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole 3-oxide
TL;DR: 7-(4-Nitrophenyl)-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole 3-oxide (CAS 371226-40-3) is a chemical compound with molecular formula C12H6N6O4 and molecular weight 298.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-nitrophenyl)-3-oxidotriazolo[4,5-g][2,1,3]benzoxadiazol-3-ium
Also Known As: NCI60_024226, 7-(4-Nitrophenyl)-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole 3-oxide, 7-(4-nitrophenyl)-3-oxido-triazolo[4,5-g][2,1,3]benzoxadiazol-3-ium, 7-(4-nitrophenyl)-3-oxidotriazolo[4,5-g][2,1,3]benzoxadiazol-3-ium, 7-(4-nitrophenyl)-7H-[1,2,3]triazolo[4',5':3,4]benzo[1,2-c][1,2,5]oxadiazole 3-oxide
| Molecular Formula | C12H6N6O4 |
|---|---|
| Molecular Weight | 298.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.04504 |
| Heavy Atoms | 22 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 371226-40-3 |
|---|---|
| SMILES | C1=CC(=CC=C1N2N=C3C=CC4=[N+](ON=C4C3=N2)[O-])[N+](=O)[O-] |
| InChIKey | UPAMUXWAWYUUJZ-UHFFFAOYSA-N |
Product Overview
7-(4-Nitrophenyl)-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole 3-oxide (CAS 371226-40-3), with molecular formula C12H6N6O4 and molecular weight 298.05 g/mol. IUPAC: 7-(4-nitrophenyl)-3-oxidotriazolo[4,5-g][2,1,3]benzoxadiazol-3-ium.
Chemical Property Profile of 7-(4-Nitrophenyl)-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole 3-oxide
Property Insights of 7-(4-Nitrophenyl)-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole 3-oxide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(4-Nitrophenyl)-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole 3-oxide. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-Nitrophenyl)-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole 3-oxide. Following Lipinski's Rule of Five, 7-(4-Nitrophenyl)-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole 3-oxide has 0 hydrogen bond donor(s) and 7 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 7-(4-Nitrophenyl)-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole 3-oxide?
The CAS number of 7-(4-Nitrophenyl)-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole 3-oxide is 371226-40-3.
What is the molecular formula of 7-(4-Nitrophenyl)-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole 3-oxide?
The molecular formula of 7-(4-Nitrophenyl)-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole 3-oxide is C12H6N6O4.
What is the molecular weight of 7-(4-Nitrophenyl)-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole 3-oxide?
The molecular weight of 7-(4-Nitrophenyl)-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole 3-oxide is 298.05 g/mol.
Where can I buy 7-(4-Nitrophenyl)-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole 3-oxide?
You can request a quote for 7-(4-Nitrophenyl)-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole 3-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(4-Nitrophenyl)-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole 3-oxide?
Yes, KEHONG BIO provides custom synthesis services for 7-(4-Nitrophenyl)-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole 3-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.