4-(4-Tert-butylphenoxymethyl)benzoic acid
TL;DR: 4-(4-Tert-butylphenoxymethyl)benzoic acid (CAS 132991-24-3) is a chemical compound with molecular formula C18H20O3 and molecular weight 284.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-tert-butylphenoxy)methyl]benzoic acid
Also Known As: 4-[(4-tert-Butylphenoxy)methyl]benzoic acid, 4-(4-tert-butylphenoxymethyl)benzoic acid, 4-(4-tert-Butyl-phenoxymethyl)-benzoic acid, 4-((4-(tert-butyl)phenoxy)methyl)benzoic acid, 4-(4-tert-Butylphenoxymethyl)benzoicacid
| Molecular Formula | C18H20O3 |
|---|---|
| Molecular Weight | 284.14 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.14124 |
| Heavy Atoms | 21 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 132991-24-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)O |
| InChIKey | JVJSNLQHNQFVGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-Tert-butylphenoxymethyl)benzoic acid (CAS 132991-24-3), with molecular formula C18H20O3 and molecular weight 284.14 g/mol. IUPAC: 4-[(4-tert-butylphenoxy)methyl]benzoic acid.
Chemical Property Profile of 4-(4-Tert-butylphenoxymethyl)benzoic acid
Property Insights of 4-(4-Tert-butylphenoxymethyl)benzoic acid
The XLogP value of 5.3 indicates that 4-(4-Tert-butylphenoxymethyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 4-(4-Tert-butylphenoxymethyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Tert-butylphenoxymethyl)benzoic acid has 1 hydrogen bond donor(s) and 3 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-butylphenoxymethyl)benzoic acid?
The CAS number of 4-(4-Tert-butylphenoxymethyl)benzoic acid is 132991-24-3.
What is the molecular formula of 4-(4-Tert-butylphenoxymethyl)benzoic acid?
The molecular formula of 4-(4-Tert-butylphenoxymethyl)benzoic acid is C18H20O3.
What is the molecular weight of 4-(4-Tert-butylphenoxymethyl)benzoic acid?
The molecular weight of 4-(4-Tert-butylphenoxymethyl)benzoic acid is 284.14 g/mol.
Where can I buy 4-(4-Tert-butylphenoxymethyl)benzoic acid?
You can request a quote for 4-(4-Tert-butylphenoxymethyl)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-butylphenoxymethyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Tert-butylphenoxymethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.