2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-tert-butylphenol
TL;DR: 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-tert-butylphenol (CAS 132980-35-9) is a chemical compound with molecular formula C17H19N3O and molecular weight 281.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzotriazol-1-ylmethyl)-6-tert-butylphenol
Also Known As: 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-tert-butylphenol, 2-((1H-Benzo[d][1,2,3]triazol-1-yl)methyl)-6-(tert-butyl)phenol, 2-(benzotriazol-1-ylmethyl)-6-tert-butylphenol, 2-(benzotriazol-1-ylmethyl)-6-tert-butyl-phenol, 6-tert-Butyl-2-[(1H-benzotriazol-1-yl)methyl]phenol
| Molecular Formula | C17H19N3O |
|---|---|
| Molecular Weight | 281.15 g/mol |
| LogP | 3.4827 |
| Topological Polar Surface Area | 50.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.1528 |
| Heavy Atoms | 21 |
| Complexity | 784.0747 |
Chemical Identifiers
| CAS Number | 132980-35-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=CC(=C1O)CN2C3=CC=CC=C3N=N2 |
Product Overview
2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-tert-butylphenol (CAS 132980-35-9), with molecular formula C17H19N3O and molecular weight 281.15 g/mol. IUPAC: 2-(benzotriazol-1-ylmethyl)-6-tert-butylphenol.
Chemical Property Profile of 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-tert-butylphenol
Property Insights of 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-tert-butylphenol
The XLogP value of 3.4827 indicates that 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-tert-butylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.94 Ų, 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-tert-butylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-tert-butylphenol 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 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-tert-butylphenol?
The CAS number of 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-tert-butylphenol is 132980-35-9.
What is the molecular formula of 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-tert-butylphenol?
The molecular formula of 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-tert-butylphenol is C17H19N3O.
What is the molecular weight of 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-tert-butylphenol?
The molecular weight of 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-tert-butylphenol is 281.15 g/mol.
Where can I buy 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-tert-butylphenol?
You can request a quote for 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-tert-butylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-tert-butylphenol?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-1,2,3-Benzotriazol-1-ylmethyl)-6-tert-butylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.