3,5-Di-tert-butyl-4-hydroxybenzoic acid
TL;DR: 3,5-Di-tert-butyl-4-hydroxybenzoic acid (CAS 1421-49-4) is a chemical compound with molecular formula C15H22O3 and molecular weight 250.15689 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-ditert-butyl-4-hydroxybenzoic acid
Also Known As: 3,5-Di-tert-butyl-4-hydroxybenzoic acid, null, BHT-COOH, Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 3,5-ditert-butyl-4-hydroxybenzoic acid
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H22O3 |
| Molecular Weight | 250.15689 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.15689 Da |
| Heavy Atoms | 18 |
| Complexity | 285.0 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)O |
| InChIKey | YEXOWHQZWLCHHD-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Di-tert-butyl-4-hydroxybenzoic acid
Property Insights of 3,5-Di-tert-butyl-4-hydroxybenzoic acid
The XLogP value of 4.4 indicates that 3,5-Di-tert-butyl-4-hydroxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 3,5-Di-tert-butyl-4-hydroxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Di-tert-butyl-4-hydroxybenzoic acid has 2 hydrogen bond donor(s) and 3 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-butyl-4-hydroxybenzoic acid?
The CAS number of 3,5-Di-tert-butyl-4-hydroxybenzoic acid is 1421-49-4.
What is the molecular formula of 3,5-Di-tert-butyl-4-hydroxybenzoic acid?
The molecular formula of 3,5-Di-tert-butyl-4-hydroxybenzoic acid is C15H22O3.
What is the molecular weight of 3,5-Di-tert-butyl-4-hydroxybenzoic acid?
The molecular weight of 3,5-Di-tert-butyl-4-hydroxybenzoic acid is 250.15689 g/mol.
Where can I buy 3,5-Di-tert-butyl-4-hydroxybenzoic acid?
You can request a quote for 3,5-Di-tert-butyl-4-hydroxybenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Di-tert-butyl-4-hydroxybenzoic acid?
Yes, CoreyChem provides custom synthesis services for 3,5-Di-tert-butyl-4-hydroxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.