4-Bromo-2-tert-butylphenol
TL;DR: 4-Bromo-2-tert-butylphenol (CAS 10323-39-4) is a chemical compound with molecular formula C10H13BrO and molecular weight 228.01498 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-2-tert-butylphenol
Also Known As: 4-Bromo-2-tert-butylphenol, 4-Bromo-2-(tert-butyl)phenol, 2-tert-butyl-4-bromophenol, 4-Bromo-2-t-butylphenol, 2-t-butyl-4-bromophenol
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H13BrO |
| Molecular Weight | 228.01498 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.01498 Da |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
| SMILES | CC(C)(C)C1=C(C=CC(=C1)Br)O |
| InChIKey | IKMJSWBFODAWTC-UHFFFAOYSA-N |
Chemical Property Profile of 4-Bromo-2-tert-butylphenol
Property Insights of 4-Bromo-2-tert-butylphenol
The XLogP value of 3.9 indicates that 4-Bromo-2-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-tert-butylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-tert-butylphenol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Bromo-2-tert-butylphenol?
The CAS number of 4-Bromo-2-tert-butylphenol is 10323-39-4.
What is the molecular formula of 4-Bromo-2-tert-butylphenol?
The molecular formula of 4-Bromo-2-tert-butylphenol is C10H13BrO.
What is the molecular weight of 4-Bromo-2-tert-butylphenol?
The molecular weight of 4-Bromo-2-tert-butylphenol is 228.01498 g/mol.
Where can I buy 4-Bromo-2-tert-butylphenol?
You can request a quote for 4-Bromo-2-tert-butylphenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Bromo-2-tert-butylphenol?
Yes, CoreyChem provides custom synthesis services for 4-Bromo-2-tert-butylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.