![5H-Benzotriazolo[2,1-a]benzotriazol-6-ium, 3,9-dinitro-, inner salt structure](/static/products/129/1293927-18-0.png)
5H-Benzotriazolo[2,1-a]benzotriazol-6-ium, 3,9-dinitro-, inner salt
TL;DR: 5H-Benzotriazolo[2,1-a]benzotriazol-6-ium, 3,9-dinitro-, inner salt (CAS 1293927-18-0) 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.
2,8-dinitrobenzotriazolo[2,1-a]benzotriazol-5-ium-6-ide
Also Known As: 2,8-dinitrobenzotriazolo[2,1-a]benzotriazol-5-ium-6-ide, 3,9-dinitro-5,12-dihydrobenzotriazolo[2,1-a]benzotriazole, 5H-Benzotriazolo[2,1-a]benzotriazol-6-ium, 3,9-dinitro-, inner salt
| Molecular Formula | C12H6N6O4 |
|---|---|
| Molecular Weight | 298.05 g/mol |
| LogP | 0.9998 |
| Topological Polar Surface Area | 121.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.04504 |
| Heavy Atoms | 22 |
| Complexity | 1007.531 |
Chemical Identifiers
| CAS Number | 1293927-18-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])[N-][N+]3=C4C=CC(=CC4=NN23)[N+](=O)[O-] |
Product Overview
5H-Benzotriazolo[2,1-a]benzotriazol-6-ium, 3,9-dinitro-, inner salt (CAS 1293927-18-0), with molecular formula C12H6N6O4 and molecular weight 298.05 g/mol. IUPAC: 2,8-dinitrobenzotriazolo[2,1-a]benzotriazol-5-ium-6-ide.
Chemical Property Profile of 5H-Benzotriazolo[2,1-a]benzotriazol-6-ium, 3,9-dinitro-, inner salt
Property Insights of 5H-Benzotriazolo[2,1-a]benzotriazol-6-ium, 3,9-dinitro-, inner salt
The XLogP value of 0.9998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-Benzotriazolo[2,1-a]benzotriazol-6-ium, 3,9-dinitro-, inner salt. The TPSA of 121.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-Benzotriazolo[2,1-a]benzotriazol-6-ium, 3,9-dinitro-, inner salt. Following Lipinski's Rule of Five, 5H-Benzotriazolo[2,1-a]benzotriazol-6-ium, 3,9-dinitro-, inner salt 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 5H-Benzotriazolo[2,1-a]benzotriazol-6-ium, 3,9-dinitro-, inner salt?
The CAS number of 5H-Benzotriazolo[2,1-a]benzotriazol-6-ium, 3,9-dinitro-, inner salt is 1293927-18-0.
What is the molecular formula of 5H-Benzotriazolo[2,1-a]benzotriazol-6-ium, 3,9-dinitro-, inner salt?
The molecular formula of 5H-Benzotriazolo[2,1-a]benzotriazol-6-ium, 3,9-dinitro-, inner salt is C12H6N6O4.
What is the molecular weight of 5H-Benzotriazolo[2,1-a]benzotriazol-6-ium, 3,9-dinitro-, inner salt?
The molecular weight of 5H-Benzotriazolo[2,1-a]benzotriazol-6-ium, 3,9-dinitro-, inner salt is 298.05 g/mol.
Where can I buy 5H-Benzotriazolo[2,1-a]benzotriazol-6-ium, 3,9-dinitro-, inner salt?
You can request a quote for 5H-Benzotriazolo[2,1-a]benzotriazol-6-ium, 3,9-dinitro-, inner salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-Benzotriazolo[2,1-a]benzotriazol-6-ium, 3,9-dinitro-, inner salt?
Yes, KEHONG BIO provides custom synthesis services for 5H-Benzotriazolo[2,1-a]benzotriazol-6-ium, 3,9-dinitro-, inner salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.