![[4-(1,1,3,3-Tetramethylbutyl)phenoxy]acetic acid structure](/static/products/1340/13402-97-6.webp)
[4-(1,1,3,3-Tetramethylbutyl)phenoxy]acetic acid
TL;DR: [4-(1,1,3,3-Tetramethylbutyl)phenoxy]acetic acid (CAS 13402-97-6) is a chemical compound with molecular formula C16H24O3 and molecular weight 264.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetic acid
Also Known As: [4-(1,1,3,3-tetramethylbutyl)phenoxy]acetic acid|p-t-octylphenoxyacetic acid|Oprea1_300720|Oprea1_347171|2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetic acid|p-tert-Octylphenoxyacetic acid|4-tert-Octylphenoxyacetic acid|(4-tert-Octylphenoxy)acetic acid|4-tert-octylphenol monocarboxylate|2-(4-tert-Octylphenoxy)acetic acid|Acetic acid, [4-(1,1,3,3-tetramethylbutyl)phenoxy]-|[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetic acid|2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]acetic acid|[4-(1,1,3,3-tetramethylbutyl)phenoxy]aceticacid|2-(4-(2,4,4-Trimethylpentan-2-yl)phenoxy)acetic acid|A3313/0140805|4-(2,4,4-TRIMETHYLPENTAN-2-YL)PHENOXYACETIC ACID|MFCD01910045|ALBB-025244
| Molecular Formula | C16H24O3 |
|---|---|
| Molecular Weight | 264.17 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 264.17255 |
| Heavy Atoms | 19 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 13402-97-6 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCC(=O)O |
| InChIKey | GPLFPJQMVKFQMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[4-(1,1,3,3-Tetramethylbutyl)phenoxy]acetic acid (CAS 13402-97-6), with molecular formula C16H24O3 and molecular weight 264.17 g/mol. IUPAC: 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetic acid.
Chemical Property Profile of [4-(1,1,3,3-Tetramethylbutyl)phenoxy]acetic acid
Property Insights of [4-(1,1,3,3-Tetramethylbutyl)phenoxy]acetic acid
The XLogP value of 4.9 indicates that [4-(1,1,3,3-Tetramethylbutyl)phenoxy]acetic 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-(1,1,3,3-Tetramethylbutyl)phenoxy]acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-(1,1,3,3-Tetramethylbutyl)phenoxy]acetic 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 [4-(1,1,3,3-Tetramethylbutyl)phenoxy]acetic acid?
The CAS number of [4-(1,1,3,3-Tetramethylbutyl)phenoxy]acetic acid is 13402-97-6.
What is the molecular formula of [4-(1,1,3,3-Tetramethylbutyl)phenoxy]acetic acid?
The molecular formula of [4-(1,1,3,3-Tetramethylbutyl)phenoxy]acetic acid is C16H24O3.
What is the molecular weight of [4-(1,1,3,3-Tetramethylbutyl)phenoxy]acetic acid?
The molecular weight of [4-(1,1,3,3-Tetramethylbutyl)phenoxy]acetic acid is 264.17 g/mol.
Where can I buy [4-(1,1,3,3-Tetramethylbutyl)phenoxy]acetic acid?
You can request a quote for [4-(1,1,3,3-Tetramethylbutyl)phenoxy]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(1,1,3,3-Tetramethylbutyl)phenoxy]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [4-(1,1,3,3-Tetramethylbutyl)phenoxy]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.