3-(3,5-DI-T-Butyl-4-hydroxyanilino)benzoic acid
TL;DR: 3-(3,5-DI-T-Butyl-4-hydroxyanilino)benzoic acid (CAS 107738-17-0) is a chemical compound with molecular formula C21H27NO3 and molecular weight 341.1991 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3,5-ditert-butyl-4-hydroxyanilino)benzoic acid
Also Known As: 3-(3,5-DI-T-BUTYL-4-HYDROXYANILINO)BENZOIC ACID, 3-(3,5-Di-tert-butyl-4-hydroxyanilino)benzoic acid, 3-[(3,5-di-tert-butyl-4-hydroxyphenyl)amino]benzoic acid, 2,6-di-tert-butyl-4-(3-carboxyphenylamino)phenol, 4-(3-carboxyphenylamino)-2,6-di-tert-butylphenol
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H27NO3 |
| Molecular Weight | 341.1991 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 341.1991 Da |
| Heavy Atoms | 25 |
| Complexity | 439.0 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)NC2=CC=CC(=C2)C(=O)O |
| InChIKey | DOBUKWPISJBXBD-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3,5-DI-T-Butyl-4-hydroxyanilino)benzoic acid
Property Insights of 3-(3,5-DI-T-Butyl-4-hydroxyanilino)benzoic acid
The XLogP value of 6.0 indicates that 3-(3,5-DI-T-Butyl-4-hydroxyanilino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,5-DI-T-Butyl-4-hydroxyanilino)benzoic acid. Following Lipinski's Rule of Five, 3-(3,5-DI-T-Butyl-4-hydroxyanilino)benzoic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-(3,5-DI-T-Butyl-4-hydroxyanilino)benzoic acid?
The CAS number of 3-(3,5-DI-T-Butyl-4-hydroxyanilino)benzoic acid is 107738-17-0.
What is the molecular formula of 3-(3,5-DI-T-Butyl-4-hydroxyanilino)benzoic acid?
The molecular formula of 3-(3,5-DI-T-Butyl-4-hydroxyanilino)benzoic acid is C21H27NO3.
What is the molecular weight of 3-(3,5-DI-T-Butyl-4-hydroxyanilino)benzoic acid?
The molecular weight of 3-(3,5-DI-T-Butyl-4-hydroxyanilino)benzoic acid is 341.1991 g/mol.
Where can I buy 3-(3,5-DI-T-Butyl-4-hydroxyanilino)benzoic acid?
You can request a quote for 3-(3,5-DI-T-Butyl-4-hydroxyanilino)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3,5-DI-T-Butyl-4-hydroxyanilino)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(3,5-DI-T-Butyl-4-hydroxyanilino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.