2-Ethylbenzotriazole
TL;DR: 2-Ethylbenzotriazole (CAS 16584-04-6) is a chemical compound with molecular formula C8H9N3 and molecular weight 147.07965 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethylbenzotriazole
Also Known As: 2-Ethylbenzotriazole, 2-Ethyl-2H-benzotriazole, 2H-Benzotriazole, 2-ethyl-, 2-Ethyl-2H-1,2,3-benzotriazole, 2-Ethyl-2H-1,2,3-benzotriazole #
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H9N3 |
| Molecular Weight | 147.07965 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 147.07965 Da |
| Heavy Atoms | 11 |
| Complexity | 123.0 |
| SMILES | CCN1N=C2C=CC=CC2=N1 |
| InChIKey | SLABSMWKISCOCW-UHFFFAOYSA-N |
Chemical Property Profile of 2-Ethylbenzotriazole
Property Insights of 2-Ethylbenzotriazole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylbenzotriazole. With a topological polar surface area (TPSA) of 30.7 Ų, 2-Ethylbenzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylbenzotriazole 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-Ethylbenzotriazole?
The CAS number of 2-Ethylbenzotriazole is 16584-04-6.
What is the molecular formula of 2-Ethylbenzotriazole?
The molecular formula of 2-Ethylbenzotriazole is C8H9N3.
What is the molecular weight of 2-Ethylbenzotriazole?
The molecular weight of 2-Ethylbenzotriazole is 147.07965 g/mol.
Where can I buy 2-Ethylbenzotriazole?
You can request a quote for 2-Ethylbenzotriazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Ethylbenzotriazole?
Yes, CoreyChem provides custom synthesis services for 2-Ethylbenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.