4-Benzotriazol-1-ylmethyl-2,6-di-tert-butyl-phenol
TL;DR: 4-Benzotriazol-1-ylmethyl-2,6-di-tert-butyl-phenol (CAS 132980-39-3) is a chemical compound with molecular formula C21H27N3O and molecular weight 337.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzotriazol-1-ylmethyl)-2,6-ditert-butylphenol
Also Known As: 4-Benzotriazol-1-ylmethyl-2,6-di-tert-butyl-phenol, BAS 13118866, 4-(benzotriazol-1-ylmethyl)-2,6-ditert-butylphenol, 4-(1H-1,2,3-benzotriazol-1-ylmethyl)-2,6-di-tert-butylphenol, 4-(benzotriazolylmethyl)-2,6-bis(tert-butyl)phenol
| Molecular Formula | C21H27N3O |
|---|---|
| Molecular Weight | 337.22 g/mol |
| LogP | 4.7802 |
| Topological Polar Surface Area | 50.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.21542 |
| Heavy Atoms | 25 |
| Complexity | 875.76636 |
Chemical Identifiers
| CAS Number | 132980-39-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CN2C3=CC=CC=C3N=N2 |
Product Overview
4-Benzotriazol-1-ylmethyl-2,6-di-tert-butyl-phenol (CAS 132980-39-3), with molecular formula C21H27N3O and molecular weight 337.22 g/mol. IUPAC: 4-(benzotriazol-1-ylmethyl)-2,6-ditert-butylphenol.
Chemical Property Profile of 4-Benzotriazol-1-ylmethyl-2,6-di-tert-butyl-phenol
Property Insights of 4-Benzotriazol-1-ylmethyl-2,6-di-tert-butyl-phenol
The XLogP value of 4.7802 indicates that 4-Benzotriazol-1-ylmethyl-2,6-di-tert-butyl-phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.94 Ų, 4-Benzotriazol-1-ylmethyl-2,6-di-tert-butyl-phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzotriazol-1-ylmethyl-2,6-di-tert-butyl-phenol 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 4-Benzotriazol-1-ylmethyl-2,6-di-tert-butyl-phenol?
The CAS number of 4-Benzotriazol-1-ylmethyl-2,6-di-tert-butyl-phenol is 132980-39-3.
What is the molecular formula of 4-Benzotriazol-1-ylmethyl-2,6-di-tert-butyl-phenol?
The molecular formula of 4-Benzotriazol-1-ylmethyl-2,6-di-tert-butyl-phenol is C21H27N3O.
What is the molecular weight of 4-Benzotriazol-1-ylmethyl-2,6-di-tert-butyl-phenol?
The molecular weight of 4-Benzotriazol-1-ylmethyl-2,6-di-tert-butyl-phenol is 337.22 g/mol.
Where can I buy 4-Benzotriazol-1-ylmethyl-2,6-di-tert-butyl-phenol?
You can request a quote for 4-Benzotriazol-1-ylmethyl-2,6-di-tert-butyl-phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzotriazol-1-ylmethyl-2,6-di-tert-butyl-phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzotriazol-1-ylmethyl-2,6-di-tert-butyl-phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.