(2,4-Bis(1,1-dimethylpropyl)phenoxy)acetic acid
TL;DR: (2,4-Bis(1,1-dimethylpropyl)phenoxy)acetic acid (CAS 13402-96-5) is a chemical compound with molecular formula C18H28O3 and molecular weight 292.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetic acid
Also Known As: 2-(2,4-Di-tert-pentylphenoxy)acetic acid, diamylphenoxyaceticacid, 2,4-Di(tert-amyl)phenoxyacetic acid, 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetic acid, (2,4-Di-tert-pentylphenoxy)acetic acid
| Molecular Formula | C18H28O3 |
|---|---|
| Molecular Weight | 292.20 g/mol |
| LogP | 6.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 292.20386 |
| Heavy Atoms | 21 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 13402-96-5 |
|---|---|
| SMILES | CCC(C)(C)C1=CC(=C(C=C1)OCC(=O)O)C(C)(C)CC |
| InChIKey | QXQMENSTZKYZCE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,4-Bis(1,1-dimethylpropyl)phenoxy)acetic acid (CAS 13402-96-5), with molecular formula C18H28O3 and molecular weight 292.20 g/mol. IUPAC: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]acetic acid.
Chemical Property Profile of (2,4-Bis(1,1-dimethylpropyl)phenoxy)acetic acid
Property Insights of (2,4-Bis(1,1-dimethylpropyl)phenoxy)acetic acid
The XLogP value of 6.1 indicates that (2,4-Bis(1,1-dimethylpropyl)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, (2,4-Bis(1,1-dimethylpropyl)phenoxy)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,4-Bis(1,1-dimethylpropyl)phenoxy)acetic 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 (2,4-Bis(1,1-dimethylpropyl)phenoxy)acetic acid?
The CAS number of (2,4-Bis(1,1-dimethylpropyl)phenoxy)acetic acid is 13402-96-5.
What is the molecular formula of (2,4-Bis(1,1-dimethylpropyl)phenoxy)acetic acid?
The molecular formula of (2,4-Bis(1,1-dimethylpropyl)phenoxy)acetic acid is C18H28O3.
What is the molecular weight of (2,4-Bis(1,1-dimethylpropyl)phenoxy)acetic acid?
The molecular weight of (2,4-Bis(1,1-dimethylpropyl)phenoxy)acetic acid is 292.20 g/mol.
Where can I buy (2,4-Bis(1,1-dimethylpropyl)phenoxy)acetic acid?
You can request a quote for (2,4-Bis(1,1-dimethylpropyl)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 (2,4-Bis(1,1-dimethylpropyl)phenoxy)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2,4-Bis(1,1-dimethylpropyl)phenoxy)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.