3,5-Bis(tert-butyl)benzoic acid
TL;DR: 3,5-Bis(tert-butyl)benzoic acid (CAS 16225-26-6) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16199 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-ditert-butylbenzoic acid
Also Known As: 3,5-Di-tert-butylbenzoic acid, 3,5-ditert-butylbenzoic acid, 7-methylguanosine, 3,5-Ditertbutylbenzoic acid, 3,5-Di-t-butylbenzoic acid
Application Areas
Top 5 of 16 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H22O2 |
| Molecular Weight | 234.16199 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.16199 Da |
| Heavy Atoms | 17 |
| Complexity | 258.0 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1)C(=O)O)C(C)(C)C |
| InChIKey | NCTSLPBQVXUAHR-UHFFFAOYSA-N |
Chemical Property Profile of 3,5-Bis(tert-butyl)benzoic acid
Property Insights of 3,5-Bis(tert-butyl)benzoic acid
The XLogP value of 4.8 indicates that 3,5-Bis(tert-butyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3,5-Bis(tert-butyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(tert-butyl)benzoic acid has 1 hydrogen bond donor(s) and 2 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-Bis(tert-butyl)benzoic acid?
The CAS number of 3,5-Bis(tert-butyl)benzoic acid is 16225-26-6.
What is the molecular formula of 3,5-Bis(tert-butyl)benzoic acid?
The molecular formula of 3,5-Bis(tert-butyl)benzoic acid is C15H22O2.
What is the molecular weight of 3,5-Bis(tert-butyl)benzoic acid?
The molecular weight of 3,5-Bis(tert-butyl)benzoic acid is 234.16199 g/mol.
Where can I buy 3,5-Bis(tert-butyl)benzoic acid?
You can request a quote for 3,5-Bis(tert-butyl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,5-Bis(tert-butyl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 3,5-Bis(tert-butyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.