4-Bromo-2,6-di-tert-butylphenol
TL;DR: 4-Bromo-2,6-di-tert-butylphenol (CAS 1139-52-2) is a chemical compound with molecular formula C14H21BrO and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2,6-ditert-butylphenol
Also Known As: 4-Bromo-2,6-di-tert-butylphenol, 2,6-Di-tert-butyl-4-bromophenol, Phenol, 4-bromo-2,6-bis(1,1-dimethylethyl)-, 4-bromo-2,6-ditert-butylphenol, Phenol,6-di-tert-butyl-
| Molecular Formula | C14H21BrO |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.07758 |
| Heavy Atoms | 16 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 1139-52-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)Br |
| InChIKey | SSQQUEKFNSJLKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-2,6-di-tert-butylphenol (CAS 1139-52-2), with molecular formula C14H21BrO and molecular weight 284.08 g/mol. IUPAC: 4-bromo-2,6-ditert-butylphenol.
Chemical Property Profile of 4-Bromo-2,6-di-tert-butylphenol
Property Insights of 4-Bromo-2,6-di-tert-butylphenol
The XLogP value of 5.6 indicates that 4-Bromo-2,6-di-tert-butylphenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Bromo-2,6-di-tert-butylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2,6-di-tert-butylphenol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Bromo-2,6-di-tert-butylphenol?
The CAS number of 4-Bromo-2,6-di-tert-butylphenol is 1139-52-2.
What is the molecular formula of 4-Bromo-2,6-di-tert-butylphenol?
The molecular formula of 4-Bromo-2,6-di-tert-butylphenol is C14H21BrO.
What is the molecular weight of 4-Bromo-2,6-di-tert-butylphenol?
The molecular weight of 4-Bromo-2,6-di-tert-butylphenol is 284.08 g/mol.
Where can I buy 4-Bromo-2,6-di-tert-butylphenol?
You can request a quote for 4-Bromo-2,6-di-tert-butylphenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2,6-di-tert-butylphenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2,6-di-tert-butylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.