![4-Nitro-1,6-dihydro[1,2,3]triazolo[4,5-e][1,2,3]benzotriazole structure](/static/products/154/154391-72-7.png)
4-Nitro-1,6-dihydro[1,2,3]triazolo[4,5-e][1,2,3]benzotriazole
TL;DR: 4-Nitro-1,6-dihydro[1,2,3]triazolo[4,5-e][1,2,3]benzotriazole (CAS 154391-72-7) is a chemical compound with molecular formula C6H3N7O2 and molecular weight 205.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-2,7-dihydrotriazolo[4,5-e]benzotriazole
Also Known As: BAS 00318797, 4-nitro-2,7-dihydrotriazolo[4,5-e]benzotriazole, 5-nitro-6H-1,2,3-triazolo[5,4-g]benzotriazole, AN-232/12157003, 5-Nitro-1,6-dihydro-benzo[1,2-d;3,4-d']bistriazole
| Molecular Formula | C6H3N7O2 |
|---|---|
| Molecular Weight | 205.03 g/mol |
| LogP | 0.1374 |
| Topological Polar Surface Area | 126.28 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.03482 |
| Heavy Atoms | 15 |
| Complexity | 668.2856 |
Chemical Identifiers
| CAS Number | 154391-72-7 |
|---|---|
| SMILES | C1=C(C2=NNN=C2C3=NNN=C31)[N+](=O)[O-] |
Product Overview
4-Nitro-1,6-dihydro[1,2,3]triazolo[4,5-e][1,2,3]benzotriazole (CAS 154391-72-7), with molecular formula C6H3N7O2 and molecular weight 205.03 g/mol. IUPAC: 4-nitro-2,7-dihydrotriazolo[4,5-e]benzotriazole.
Chemical Property Profile of 4-Nitro-1,6-dihydro[1,2,3]triazolo[4,5-e][1,2,3]benzotriazole
Property Insights of 4-Nitro-1,6-dihydro[1,2,3]triazolo[4,5-e][1,2,3]benzotriazole
The XLogP value of 0.1374 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-1,6-dihydro[1,2,3]triazolo[4,5-e][1,2,3]benzotriazole. The TPSA of 126.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-1,6-dihydro[1,2,3]triazolo[4,5-e][1,2,3]benzotriazole. Following Lipinski's Rule of Five, 4-Nitro-1,6-dihydro[1,2,3]triazolo[4,5-e][1,2,3]benzotriazole has 2 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 4-Nitro-1,6-dihydro[1,2,3]triazolo[4,5-e][1,2,3]benzotriazole?
The CAS number of 4-Nitro-1,6-dihydro[1,2,3]triazolo[4,5-e][1,2,3]benzotriazole is 154391-72-7.
What is the molecular formula of 4-Nitro-1,6-dihydro[1,2,3]triazolo[4,5-e][1,2,3]benzotriazole?
The molecular formula of 4-Nitro-1,6-dihydro[1,2,3]triazolo[4,5-e][1,2,3]benzotriazole is C6H3N7O2.
What is the molecular weight of 4-Nitro-1,6-dihydro[1,2,3]triazolo[4,5-e][1,2,3]benzotriazole?
The molecular weight of 4-Nitro-1,6-dihydro[1,2,3]triazolo[4,5-e][1,2,3]benzotriazole is 205.03 g/mol.
Where can I buy 4-Nitro-1,6-dihydro[1,2,3]triazolo[4,5-e][1,2,3]benzotriazole?
You can request a quote for 4-Nitro-1,6-dihydro[1,2,3]triazolo[4,5-e][1,2,3]benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-1,6-dihydro[1,2,3]triazolo[4,5-e][1,2,3]benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-1,6-dihydro[1,2,3]triazolo[4,5-e][1,2,3]benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.