![Hexanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]- structure](/static/products/7207/72076-45-0.webp)
Hexanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-
TL;DR: Hexanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]- (CAS 72076-45-0) is a chemical compound with molecular formula C22H36O3 and molecular weight 348.27 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]hexanoic acid
Also Known As: 2-(2,4-Di-tert-pentylphenoxy)hexanoic acid, 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanoic acid, 2-(2,4-Bis(tert-pentylphenoxy))hexanoic acid, 2-[2,4-bis(tert-pentylphenoxy)]hexanoic acid, Hexanoic acid, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-
| Molecular Formula | C22H36O3 |
|---|---|
| Molecular Weight | 348.27 g/mol |
| LogP | 7.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 348.26645 |
| Heavy Atoms | 25 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 72076-45-0 |
|---|---|
| SMILES | CCCCC(C(=O)O)OC1=C(C=C(C=C1)C(C)(C)CC)C(C)(C)CC |
| InChIKey | YZYMIFDQSDOKLE-UHFFFAOYSA-N |
Product Overview
Hexanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]- (CAS 72076-45-0), with molecular formula C22H36O3 and molecular weight 348.27 g/mol. IUPAC: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]hexanoic acid.
Chemical Property Profile of Hexanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-
Property Insights of Hexanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-
The XLogP value of 7.7 indicates that Hexanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Hexanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]- 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 Hexanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-?
The CAS number of Hexanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]- is 72076-45-0.
What is the molecular formula of Hexanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-?
The molecular formula of Hexanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]- is C22H36O3.
What is the molecular weight of Hexanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-?
The molecular weight of Hexanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]- is 348.27 g/mol.
Where can I buy Hexanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-?
You can request a quote for Hexanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.