1-Ethylbenzotriazole
TL;DR: 1-Ethylbenzotriazole (CAS 16584-05-7) 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.
1-ethylbenzotriazole
Also Known As: 1-Ethylbenzotriazole, 1-ethyl-1H-1,2,3-benzotriazole, 1H-Benzotriazole,1-ethyl-, Benzotriazole,1-ethyl, Benzotriazole, 1-ethyl-
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H9N3 |
| Molecular Weight | 147.07965 g/mol |
| XLogP | 1.6 |
| 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 | 137.0 |
| SMILES | CCN1C2=CC=CC=C2N=N1 |
| InChIKey | VGCWCUQMEWJQSU-UHFFFAOYSA-N |
Chemical Property Profile of 1-Ethylbenzotriazole
Property Insights of 1-Ethylbenzotriazole
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethylbenzotriazole. With a topological polar surface area (TPSA) of 30.7 Ų, 1-Ethylbenzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-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 1-Ethylbenzotriazole?
The CAS number of 1-Ethylbenzotriazole is 16584-05-7.
What is the molecular formula of 1-Ethylbenzotriazole?
The molecular formula of 1-Ethylbenzotriazole is C8H9N3.
What is the molecular weight of 1-Ethylbenzotriazole?
The molecular weight of 1-Ethylbenzotriazole is 147.07965 g/mol.
Where can I buy 1-Ethylbenzotriazole?
You can request a quote for 1-Ethylbenzotriazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Ethylbenzotriazole?
Yes, CoreyChem provides custom synthesis services for 1-Ethylbenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.