Ethyl (4-tert-butylphenoxy)acetate
TL;DR: Ethyl (4-tert-butylphenoxy)acetate (CAS 3344-19-2) is a chemical compound with molecular formula C14H20O3 and molecular weight 236.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-tert-butylphenoxy)acetate
Also Known As: Ethyl (4-tert-butylphenoxy)acetate, ethyl 2-(4-tert-butylphenoxy)acetate, ethyl(4-(1,1-dimethylethyl)phenoxy)acetate, ethyl 2-(4-(tert-butyl)phenoxy)acetate, p-tert-Butylphenoxyacetic acid ethyl ester
| Molecular Formula | C14H20O3 |
|---|---|
| Molecular Weight | 236.14 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 236.14125 |
| Heavy Atoms | 17 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 3344-19-2 |
|---|---|
| SMILES | CCOC(=O)COC1=CC=C(C=C1)C(C)(C)C |
| InChIKey | XKOOVHYJLVRPNR-UHFFFAOYSA-N |
Product Overview
Ethyl (4-tert-butylphenoxy)acetate (CAS 3344-19-2), with molecular formula C14H20O3 and molecular weight 236.14 g/mol. IUPAC: ethyl 2-(4-tert-butylphenoxy)acetate.
Chemical Property Profile of Ethyl (4-tert-butylphenoxy)acetate
Property Insights of Ethyl (4-tert-butylphenoxy)acetate
The XLogP value of 3.9 indicates that Ethyl (4-tert-butylphenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Ethyl (4-tert-butylphenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (4-tert-butylphenoxy)acetate has 0 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 Ethyl (4-tert-butylphenoxy)acetate?
The CAS number of Ethyl (4-tert-butylphenoxy)acetate is 3344-19-2.
What is the molecular formula of Ethyl (4-tert-butylphenoxy)acetate?
The molecular formula of Ethyl (4-tert-butylphenoxy)acetate is C14H20O3.
What is the molecular weight of Ethyl (4-tert-butylphenoxy)acetate?
The molecular weight of Ethyl (4-tert-butylphenoxy)acetate is 236.14 g/mol.
Where can I buy Ethyl (4-tert-butylphenoxy)acetate?
You can request a quote for Ethyl (4-tert-butylphenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (4-tert-butylphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (4-tert-butylphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.