3,5-Di-tert-butylphenol
TL;DR: 3,5-Di-tert-butylphenol (CAS 1138-52-9) is a chemical compound with molecular formula C14H22O and molecular weight 206.16707 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-ditert-butylphenol
Also Known As: 3,5-Di-tert-butylphenol, 3,5-ditert-butylphenol, 3,5-Di-t-butylphenol, Phenol, 3,5-bis(1,1-dimethylethyl)-, Phenol, 3,5-di-tert-butyl-
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H22O |
| Molecular Weight | 206.16707 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.16707 Da |
| Heavy Atoms | 15 |
| Complexity | 184.0 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1)O)C(C)(C)C |
| InChIKey | ZDWSNKPLZUXBPE-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Di-tert-butylphenol
Property Insights of 3,5-Di-tert-butylphenol
The XLogP value of 4.9 indicates that 3,5-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, 3,5-Di-tert-butylphenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Di-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 3,5-Di-tert-butylphenol?
The CAS number of 3,5-Di-tert-butylphenol is 1138-52-9.
What is the molecular formula of 3,5-Di-tert-butylphenol?
The molecular formula of 3,5-Di-tert-butylphenol is C14H22O.
What is the molecular weight of 3,5-Di-tert-butylphenol?
The molecular weight of 3,5-Di-tert-butylphenol is 206.16707 g/mol.
Where can I buy 3,5-Di-tert-butylphenol?
You can request a quote for 3,5-Di-tert-butylphenol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Di-tert-butylphenol?
Yes, CoreyChem provides custom synthesis services for 3,5-Di-tert-butylphenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.