2-Methyl-1,2,3-benzotriazole
TL;DR: 2-Methyl-1,2,3-benzotriazole (CAS 16584-00-2) is a chemical compound with molecular formula C7H7N3 and molecular weight 133.064 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylbenzotriazole
Also Known As: 2-Methylbenzotriazole, 2-Methyl-2H-benzotriazole, 2-Methyl-2H-1,2,3-benzotriazole, 2H-Benzotriazole, 2-methyl-, 2-Methyl-2H-benzo[d][1,2,3]triazole
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H7N3 |
| Molecular Weight | 133.064 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 133.064 Da |
| Heavy Atoms | 10 |
| Complexity | 112.0 |
| SMILES | CN1N=C2C=CC=CC2=N1 |
| InChIKey | PWORFEDVDWBHSJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methyl-1,2,3-benzotriazole
Property Insights of 2-Methyl-1,2,3-benzotriazole
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-1,2,3-benzotriazole. With a topological polar surface area (TPSA) of 30.7 Ų, 2-Methyl-1,2,3-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-1,2,3-benzotriazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Methyl-1,2,3-benzotriazole?
The CAS number of 2-Methyl-1,2,3-benzotriazole is 16584-00-2.
What is the molecular formula of 2-Methyl-1,2,3-benzotriazole?
The molecular formula of 2-Methyl-1,2,3-benzotriazole is C7H7N3.
What is the molecular weight of 2-Methyl-1,2,3-benzotriazole?
The molecular weight of 2-Methyl-1,2,3-benzotriazole is 133.064 g/mol.
Where can I buy 2-Methyl-1,2,3-benzotriazole?
You can request a quote for 2-Methyl-1,2,3-benzotriazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methyl-1,2,3-benzotriazole?
Yes, CoreyChem provides custom synthesis services for 2-Methyl-1,2,3-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.