2-(4-t-Butylphenoxy)benzoic acid
TL;DR: 2-(4-t-Butylphenoxy)benzoic acid (CAS 69737-65-1) is a chemical compound with molecular formula C17H18O3 and molecular weight 270.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-tert-butylphenoxy)benzoic acid
Also Known As: 2-(4-t-Butylphenoxy)benzoic acid, 2-(4-tert-Butylphenoxy)benzoic acid, 2-(4-tert-Butylphenoxy)benzoic acid #, 2-[4-(1,1-dimethylethyl)phenoxy]-benzoic acid
| Molecular Formula | C17H18O3 |
|---|---|
| Molecular Weight | 270.13 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 270.12558 |
| Heavy Atoms | 20 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 69737-65-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC2=CC=CC=C2C(=O)O |
| InChIKey | ONDALFICRVVSFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-t-Butylphenoxy)benzoic acid (CAS 69737-65-1), with molecular formula C17H18O3 and molecular weight 270.13 g/mol. IUPAC: 2-(4-tert-butylphenoxy)benzoic acid.
Chemical Property Profile of 2-(4-t-Butylphenoxy)benzoic acid
Property Insights of 2-(4-t-Butylphenoxy)benzoic acid
The XLogP value of 4.8 indicates that 2-(4-t-Butylphenoxy)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, 2-(4-t-Butylphenoxy)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-t-Butylphenoxy)benzoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-t-Butylphenoxy)benzoic acid?
The CAS number of 2-(4-t-Butylphenoxy)benzoic acid is 69737-65-1.
What is the molecular formula of 2-(4-t-Butylphenoxy)benzoic acid?
The molecular formula of 2-(4-t-Butylphenoxy)benzoic acid is C17H18O3.
What is the molecular weight of 2-(4-t-Butylphenoxy)benzoic acid?
The molecular weight of 2-(4-t-Butylphenoxy)benzoic acid is 270.13 g/mol.
Where can I buy 2-(4-t-Butylphenoxy)benzoic acid?
You can request a quote for 2-(4-t-Butylphenoxy)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-t-Butylphenoxy)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-t-Butylphenoxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.