Ethyl (2-(1,1-dimethylethyl)phenoxy)acetate
TL;DR: Ethyl (2-(1,1-dimethylethyl)phenoxy)acetate (CAS 93893-53-9) 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-(2-tert-butylphenoxy)acetate
Also Known As: ethyl[2- phenoxy]acetate, ethyl (2-tert-butylphenoxy)acetate, ethyl 2-(2-tert-butylphenoxy)acetate, EINECS 299-642-4, Ethyl (2-(1,1-dimethylethyl)phenoxy)acetate
| Molecular Formula | C14H20O3 |
|---|---|
| Molecular Weight | 236.14 g/mol |
| LogP | 2.926 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.14125 |
| Heavy Atoms | 17 |
| Complexity | 377.29886 |
Chemical Identifiers
| CAS Number | 93893-53-9 |
|---|---|
| SMILES | CCOC(=O)COC1=CC=CC=C1C(C)(C)C |
Product Overview
Ethyl (2-(1,1-dimethylethyl)phenoxy)acetate (CAS 93893-53-9), with molecular formula C14H20O3 and molecular weight 236.14 g/mol. IUPAC: ethyl 2-(2-tert-butylphenoxy)acetate.
Chemical Property Profile of Ethyl (2-(1,1-dimethylethyl)phenoxy)acetate
Property Insights of Ethyl (2-(1,1-dimethylethyl)phenoxy)acetate
The XLogP value of 2.926 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2-(1,1-dimethylethyl)phenoxy)acetate. With a topological polar surface area (TPSA) of 35.53 Ų, Ethyl (2-(1,1-dimethylethyl)phenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (2-(1,1-dimethylethyl)phenoxy)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 (2-(1,1-dimethylethyl)phenoxy)acetate?
The CAS number of Ethyl (2-(1,1-dimethylethyl)phenoxy)acetate is 93893-53-9.
What is the molecular formula of Ethyl (2-(1,1-dimethylethyl)phenoxy)acetate?
The molecular formula of Ethyl (2-(1,1-dimethylethyl)phenoxy)acetate is C14H20O3.
What is the molecular weight of Ethyl (2-(1,1-dimethylethyl)phenoxy)acetate?
The molecular weight of Ethyl (2-(1,1-dimethylethyl)phenoxy)acetate is 236.14 g/mol.
Where can I buy Ethyl (2-(1,1-dimethylethyl)phenoxy)acetate?
You can request a quote for Ethyl (2-(1,1-dimethylethyl)phenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (2-(1,1-dimethylethyl)phenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2-(1,1-dimethylethyl)phenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.