4-(4-tert-Butylphenyl)benzoic Acid
TL;DR: 4-(4-tert-Butylphenyl)benzoic Acid (CAS 5748-42-5) is a chemical compound with molecular formula C17H18O2 and molecular weight 254.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-tert-butylphenyl)benzoic acid
Also Known As: 4-(4-tert-Butylphenyl)benzoic Acid, 4-(4-T-BUTYLPHENYL)BENZOIC ACID, 4'-(tert-Butyl)-[1,1'-biphenyl]-4-carboxylic acid, 4-(4-tert-Butylphenyl)benzoicAcid, 4'-tert-Butyl-4-biphenylcarboxylic acid
| Molecular Formula | C17H18O2 |
|---|---|
| Molecular Weight | 254.13 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.13068 |
| Heavy Atoms | 19 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 5748-42-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O |
| InChIKey | HZIOPONJCVOCFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-tert-Butylphenyl)benzoic Acid (CAS 5748-42-5), with molecular formula C17H18O2 and molecular weight 254.13 g/mol. IUPAC: 4-(4-tert-butylphenyl)benzoic acid.
Chemical Property Profile of 4-(4-tert-Butylphenyl)benzoic Acid
Property Insights of 4-(4-tert-Butylphenyl)benzoic Acid
The XLogP value of 5.5 indicates that 4-(4-tert-Butylphenyl)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, 4-(4-tert-Butylphenyl)benzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-tert-Butylphenyl)benzoic Acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-tert-Butylphenyl)benzoic Acid?
The CAS number of 4-(4-tert-Butylphenyl)benzoic Acid is 5748-42-5.
What is the molecular formula of 4-(4-tert-Butylphenyl)benzoic Acid?
The molecular formula of 4-(4-tert-Butylphenyl)benzoic Acid is C17H18O2.
What is the molecular weight of 4-(4-tert-Butylphenyl)benzoic Acid?
The molecular weight of 4-(4-tert-Butylphenyl)benzoic Acid is 254.13 g/mol.
Where can I buy 4-(4-tert-Butylphenyl)benzoic Acid?
You can request a quote for 4-(4-tert-Butylphenyl)benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-tert-Butylphenyl)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-tert-Butylphenyl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.