1H-Benzotriazole-1-ethanol
TL;DR: 1H-Benzotriazole-1-ethanol (CAS 938-56-7) is a chemical compound with molecular formula C8H9N3O and molecular weight 163.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzotriazol-1-yl)ethanol
Also Known As: 1H-Benzotriazole-1-ethanol, 2- ethanol, 2-(1H-benzo[d][1,2,3]triazol-1-yl)ethanol, 2-(benzotriazol-1-yl)ethanol, 2-benzotriazol-1-yl-ethanol
| Molecular Formula | C8H9N3O |
|---|---|
| Molecular Weight | 163.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.07455 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 938-56-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CCO |
| InChIKey | VHEODZYQZLRPTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Benzotriazole-1-ethanol (CAS 938-56-7), with molecular formula C8H9N3O and molecular weight 163.07 g/mol. IUPAC: 2-(benzotriazol-1-yl)ethanol.
Chemical Property Profile of 1H-Benzotriazole-1-ethanol
Property Insights of 1H-Benzotriazole-1-ethanol
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzotriazole-1-ethanol. With a topological polar surface area (TPSA) of 50.9 Ų, 1H-Benzotriazole-1-ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Benzotriazole-1-ethanol has 1 hydrogen bond donor(s) and 3 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 1H-Benzotriazole-1-ethanol?
The CAS number of 1H-Benzotriazole-1-ethanol is 938-56-7.
What is the molecular formula of 1H-Benzotriazole-1-ethanol?
The molecular formula of 1H-Benzotriazole-1-ethanol is C8H9N3O.
What is the molecular weight of 1H-Benzotriazole-1-ethanol?
The molecular weight of 1H-Benzotriazole-1-ethanol is 163.07 g/mol.
Where can I buy 1H-Benzotriazole-1-ethanol?
You can request a quote for 1H-Benzotriazole-1-ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzotriazole-1-ethanol?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzotriazole-1-ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.