4,6-dinitro-2H-benzotriazole
TL;DR: 4,6-dinitro-2H-benzotriazole (CAS 31995-62-7) is a chemical compound with molecular formula C6H3N5O4 and molecular weight 209.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dinitro-2H-benzotriazole
Also Known As: 4,6-dinitro-2H-benzotriazole, 4,6-dinitrobenzotriazole, 5,7-Dinitro-1H-benzotriazole, 4,6-dinitro-1H-1,2,3-benzotriazole, 4,6-dinitro-1H-benzotriazole
| Molecular Formula | C6H3N5O4 |
|---|---|
| Molecular Weight | 209.02 g/mol |
| LogP | 0.7743 |
| Topological Polar Surface Area | 127.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.01851 |
| Heavy Atoms | 15 |
| Complexity | 561.64764 |
Chemical Identifiers
| CAS Number | 31995-62-7 |
|---|---|
| SMILES | C1=C(C=C(C2=NNN=C21)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4,6-dinitro-2H-benzotriazole (CAS 31995-62-7), with molecular formula C6H3N5O4 and molecular weight 209.02 g/mol. IUPAC: 4,6-dinitro-2H-benzotriazole.
Chemical Property Profile of 4,6-dinitro-2H-benzotriazole
Property Insights of 4,6-dinitro-2H-benzotriazole
The XLogP value of 0.7743 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-dinitro-2H-benzotriazole. The TPSA of 127.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-dinitro-2H-benzotriazole. Following Lipinski's Rule of Five, 4,6-dinitro-2H-benzotriazole has 1 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 4,6-dinitro-2H-benzotriazole?
The CAS number of 4,6-dinitro-2H-benzotriazole is 31995-62-7.
What is the molecular formula of 4,6-dinitro-2H-benzotriazole?
The molecular formula of 4,6-dinitro-2H-benzotriazole is C6H3N5O4.
What is the molecular weight of 4,6-dinitro-2H-benzotriazole?
The molecular weight of 4,6-dinitro-2H-benzotriazole is 209.02 g/mol.
Where can I buy 4,6-dinitro-2H-benzotriazole?
You can request a quote for 4,6-dinitro-2H-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-dinitro-2H-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 4,6-dinitro-2H-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.