1-(2-methylbenzyl)-1H-benzotriazole
TL;DR: 1-(2-methylbenzyl)-1H-benzotriazole (CAS 142087-14-7) is a chemical compound with molecular formula C14H13N3 and molecular weight 223.11095 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2-methylphenyl)methyl]benzotriazole
Also Known As: 1-(2-methylbenzyl)-1H-benzotriazole, 1-[(2-methylphenyl)methyl]benzotriazole, [(2-methylphenyl)methyl]benzotriazole, 1-(o-Methylbenzyl)-1H-benzotriazole, BAS 11721186
Technical Specifications
| Molecular Formula | C14H13N3 |
| Molecular Weight | 223.11095 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.11095 Da |
| Heavy Atoms | 17 |
| Complexity | 256.0 |
| SMILES | CC1=CC=CC=C1CN2C3=CC=CC=C3N=N2 |
| InChIKey | SKFGISZABVWDCB-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2-methylbenzyl)-1H-benzotriazole
Property Insights of 1-(2-methylbenzyl)-1H-benzotriazole
The XLogP value of 3.2 indicates that 1-(2-methylbenzyl)-1H-benzotriazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.7 Ų, 1-(2-methylbenzyl)-1H-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-methylbenzyl)-1H-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 1-(2-methylbenzyl)-1H-benzotriazole?
The CAS number of 1-(2-methylbenzyl)-1H-benzotriazole is 142087-14-7.
What is the molecular formula of 1-(2-methylbenzyl)-1H-benzotriazole?
The molecular formula of 1-(2-methylbenzyl)-1H-benzotriazole is C14H13N3.
What is the molecular weight of 1-(2-methylbenzyl)-1H-benzotriazole?
The molecular weight of 1-(2-methylbenzyl)-1H-benzotriazole is 223.11095 g/mol.
Where can I buy 1-(2-methylbenzyl)-1H-benzotriazole?
You can request a quote for 1-(2-methylbenzyl)-1H-benzotriazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-methylbenzyl)-1H-benzotriazole?
Yes, CoreyChem provides custom synthesis services for 1-(2-methylbenzyl)-1H-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.