4-(2,4-Bis(tert-pentyl)phenoxy)butyric acid
TL;DR: 4-(2,4-Bis(tert-pentyl)phenoxy)butyric acid (CAS 13403-01-5) is a chemical compound with molecular formula C20H32O3 and molecular weight 320.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoic acid
Also Known As: 4-(2,4-Di-tert-pentylphenoxy)butanoic acid, 4-(2,4-Di-tert-pentylphenoxy)butyric acid, 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoic acid, 4- BUTYRICACID, Butanoic acid, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-
| Molecular Formula | C20H32O3 |
|---|---|
| Molecular Weight | 320.24 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 320.23514 |
| Heavy Atoms | 23 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 13403-01-5 |
|---|---|
| SMILES | CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)O)C(C)(C)CC |
| InChIKey | LZSDVFDKDUZVFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2,4-Bis(tert-pentyl)phenoxy)butyric acid (CAS 13403-01-5), with molecular formula C20H32O3 and molecular weight 320.24 g/mol. IUPAC: 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoic acid.
Chemical Property Profile of 4-(2,4-Bis(tert-pentyl)phenoxy)butyric acid
Property Insights of 4-(2,4-Bis(tert-pentyl)phenoxy)butyric acid
The XLogP value of 6.2 indicates that 4-(2,4-Bis(tert-pentyl)phenoxy)butyric 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-(2,4-Bis(tert-pentyl)phenoxy)butyric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,4-Bis(tert-pentyl)phenoxy)butyric 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-(2,4-Bis(tert-pentyl)phenoxy)butyric acid?
The CAS number of 4-(2,4-Bis(tert-pentyl)phenoxy)butyric acid is 13403-01-5.
What is the molecular formula of 4-(2,4-Bis(tert-pentyl)phenoxy)butyric acid?
The molecular formula of 4-(2,4-Bis(tert-pentyl)phenoxy)butyric acid is C20H32O3.
What is the molecular weight of 4-(2,4-Bis(tert-pentyl)phenoxy)butyric acid?
The molecular weight of 4-(2,4-Bis(tert-pentyl)phenoxy)butyric acid is 320.24 g/mol.
Where can I buy 4-(2,4-Bis(tert-pentyl)phenoxy)butyric acid?
You can request a quote for 4-(2,4-Bis(tert-pentyl)phenoxy)butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,4-Bis(tert-pentyl)phenoxy)butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,4-Bis(tert-pentyl)phenoxy)butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.