5-methyl-4-nitro-1H-1,2,3-benzotriazole
TL;DR: 5-methyl-4-nitro-1H-1,2,3-benzotriazole (CAS 31995-60-5) 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.
5-methyl-4-nitro-2H-benzotriazole
Also Known As: 5-methyl-4-nitro-1H-1,2,3-benzotriazole, 5-methyl-4-nitro-2H-benzotriazole, 6-methyl-7-nitrobenzotriazole, 5-Methyl-4-nitro-1H-benzo[d][1,2,3]triazole, 4-Nitro-5-methyl-1H-benzotriazole
| Molecular Formula | C7H6N4O2 |
|---|---|
| Molecular Weight | 178.05 g/mol |
| LogP | 1.17452 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.04907 |
| Heavy Atoms | 13 |
| Complexity | 476.29733 |
Chemical Identifiers
| CAS Number | 31995-60-5 |
|---|---|
| SMILES | CC1=C(C2=NNN=C2C=C1)[N+](=O)[O-] |
Product Overview
5-methyl-4-nitro-1H-1,2,3-benzotriazole (CAS 31995-60-5), with molecular formula C7H6N4O2 and molecular weight 178.05 g/mol. IUPAC: 5-methyl-4-nitro-2H-benzotriazole.
Chemical Property Profile of 5-methyl-4-nitro-1H-1,2,3-benzotriazole
Property Insights of 5-methyl-4-nitro-1H-1,2,3-benzotriazole
The XLogP value of 1.17452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-4-nitro-1H-1,2,3-benzotriazole. The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-4-nitro-1H-1,2,3-benzotriazole. Following Lipinski's Rule of Five, 5-methyl-4-nitro-1H-1,2,3-benzotriazole has 1 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 5-methyl-4-nitro-1H-1,2,3-benzotriazole?
The CAS number of 5-methyl-4-nitro-1H-1,2,3-benzotriazole is 31995-60-5.
What is the molecular formula of 5-methyl-4-nitro-1H-1,2,3-benzotriazole?
The molecular formula of 5-methyl-4-nitro-1H-1,2,3-benzotriazole is C7H6N4O2.
What is the molecular weight of 5-methyl-4-nitro-1H-1,2,3-benzotriazole?
The molecular weight of 5-methyl-4-nitro-1H-1,2,3-benzotriazole is 178.05 g/mol.
Where can I buy 5-methyl-4-nitro-1H-1,2,3-benzotriazole?
You can request a quote for 5-methyl-4-nitro-1H-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 5-methyl-4-nitro-1H-1,2,3-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-4-nitro-1H-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.