2-Methyl-4-nitrobenzotriazole
TL;DR: 2-Methyl-4-nitrobenzotriazole (CAS 89795-90-4) is a chemical compound with molecular formula C7H6N4O2 and molecular weight 178.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-nitrobenzotriazole
Also Known As: 2-methyl-4-nitrobenzotriazole, 2-methyl-4-nitro-benzotriazole, 2H-Benzotriazole, 2-methyl-4-nitro, 2-methyl-4-nitro-2h-1,2,3-benzotriazole
| Molecular Formula | C7H6N4O2 |
|---|---|
| Molecular Weight | 178.05 g/mol |
| LogP | 0.8765 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.04907 |
| Heavy Atoms | 13 |
| Complexity | 476.29733 |
Chemical Identifiers
| CAS Number | 89795-90-4 |
|---|---|
| SMILES | CN1N=C2C=CC=C(C2=N1)[N+](=O)[O-] |
Product Overview
2-Methyl-4-nitrobenzotriazole (CAS 89795-90-4), with molecular formula C7H6N4O2 and molecular weight 178.05 g/mol. IUPAC: 2-methyl-4-nitrobenzotriazole.
Chemical Property Profile of 2-Methyl-4-nitrobenzotriazole
Property Insights of 2-Methyl-4-nitrobenzotriazole
The XLogP value of 0.8765 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-4-nitrobenzotriazole. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-4-nitrobenzotriazole. Following Lipinski's Rule of Five, 2-Methyl-4-nitrobenzotriazole has 0 hydrogen bond donor(s) and 4 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 2-Methyl-4-nitrobenzotriazole?
The CAS number of 2-Methyl-4-nitrobenzotriazole is 89795-90-4.
What is the molecular formula of 2-Methyl-4-nitrobenzotriazole?
The molecular formula of 2-Methyl-4-nitrobenzotriazole is C7H6N4O2.
What is the molecular weight of 2-Methyl-4-nitrobenzotriazole?
The molecular weight of 2-Methyl-4-nitrobenzotriazole is 178.05 g/mol.
Where can I buy 2-Methyl-4-nitrobenzotriazole?
You can request a quote for 2-Methyl-4-nitrobenzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4-nitrobenzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-nitrobenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.