![7-(4-Nitrophenyl)triazolo[4,5-g][2,1,3]benzoxadiazole structure](/static/products/1667/166766-16-1.webp)
7-(4-Nitrophenyl)triazolo[4,5-g][2,1,3]benzoxadiazole
TL;DR: 7-(4-Nitrophenyl)triazolo[4,5-g][2,1,3]benzoxadiazole (CAS 166766-16-1) is a chemical compound with molecular formula C12H6N6O3 and molecular weight 282.05014 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(4-nitrophenyl)triazolo[4,5-g][2,1,3]benzoxadiazole
Also Known As: BAS 00318829, NCI60_024221, 7-(4-Nitrophenyl)(7H)triazolo[4,5-e]benzofurazan, 7-(4-nitrophenyl)triazolo[4,5-g][2,1,3]benzoxadiazole, AB00075174-01
Technical Specifications
| Molecular Formula | C12H6N6O3 |
| Molecular Weight | 282.05014 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.05014 Da |
| Heavy Atoms | 21 |
| Complexity | 410.0 |
| SMILES | C1=CC(=CC=C1N2N=C3C=CC4=NON=C4C3=N2)[N+](=O)[O-] |
| InChIKey | DTWCJQWJGNIOSC-UHFFFAOYSA-N |
Chemical Property Profile of 7-(4-Nitrophenyl)triazolo[4,5-g][2,1,3]benzoxadiazole
Property Insights of 7-(4-Nitrophenyl)triazolo[4,5-g][2,1,3]benzoxadiazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(4-Nitrophenyl)triazolo[4,5-g][2,1,3]benzoxadiazole. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(4-Nitrophenyl)triazolo[4,5-g][2,1,3]benzoxadiazole. Following Lipinski's Rule of Five, 7-(4-Nitrophenyl)triazolo[4,5-g][2,1,3]benzoxadiazole 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
What is the CAS number of 7-(4-Nitrophenyl)triazolo[4,5-g][2,1,3]benzoxadiazole?
The CAS number of 7-(4-Nitrophenyl)triazolo[4,5-g][2,1,3]benzoxadiazole is 166766-16-1.
What is the molecular formula of 7-(4-Nitrophenyl)triazolo[4,5-g][2,1,3]benzoxadiazole?
The molecular formula of 7-(4-Nitrophenyl)triazolo[4,5-g][2,1,3]benzoxadiazole is C12H6N6O3.
What is the molecular weight of 7-(4-Nitrophenyl)triazolo[4,5-g][2,1,3]benzoxadiazole?
The molecular weight of 7-(4-Nitrophenyl)triazolo[4,5-g][2,1,3]benzoxadiazole is 282.05014 g/mol.
Where can I buy 7-(4-Nitrophenyl)triazolo[4,5-g][2,1,3]benzoxadiazole?
You can request a quote for 7-(4-Nitrophenyl)triazolo[4,5-g][2,1,3]benzoxadiazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-(4-Nitrophenyl)triazolo[4,5-g][2,1,3]benzoxadiazole?
Yes, CoreyChem provides custom synthesis services for 7-(4-Nitrophenyl)triazolo[4,5-g][2,1,3]benzoxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.