Ethyl 2-(4-(1-hydroxyethyl)phenoxy)isobutyrate
TL;DR: Ethyl 2-(4-(1-hydroxyethyl)phenoxy)isobutyrate (CAS 52179-08-5) is a chemical compound with molecular formula C14H20O4 and molecular weight 252.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(1-hydroxyethyl)phenoxy]-2-methylpropanoate
Also Known As: Ethyl 2-(4-(1-hydroxyethyl)phenoxy)isobutyrate, ethyl 2-[4-(1-hydroxyethyl)phenoxy]-2-methylpropanoate, Ethyl 2-[4-(1-hydroxyethyl)phenoxy]isobutyrate, ethyl 2-[4-(1-hydroxyethyl)phenoxy]-2-methylpropionate, 2-[4-(1-Hydroxyethyl)phenoxy]-2-methylpropanoic acid ethyl ester
| Molecular Formula | C14H20O4 |
|---|---|
| Molecular Weight | 252.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 252.13615 |
| Heavy Atoms | 18 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 52179-08-5 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)OC1=CC=C(C=C1)C(C)O |
| InChIKey | YDTWAGLILFSFFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-(4-(1-hydroxyethyl)phenoxy)isobutyrate (CAS 52179-08-5), with molecular formula C14H20O4 and molecular weight 252.14 g/mol. IUPAC: ethyl 2-[4-(1-hydroxyethyl)phenoxy]-2-methylpropanoate.
Chemical Property Profile of Ethyl 2-(4-(1-hydroxyethyl)phenoxy)isobutyrate
Property Insights of Ethyl 2-(4-(1-hydroxyethyl)phenoxy)isobutyrate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(4-(1-hydroxyethyl)phenoxy)isobutyrate. With a topological polar surface area (TPSA) of 55.8 Ų, Ethyl 2-(4-(1-hydroxyethyl)phenoxy)isobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(4-(1-hydroxyethyl)phenoxy)isobutyrate has 1 hydrogen bond donor(s) and 4 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-(4-(1-hydroxyethyl)phenoxy)isobutyrate?
The CAS number of Ethyl 2-(4-(1-hydroxyethyl)phenoxy)isobutyrate is 52179-08-5.
What is the molecular formula of Ethyl 2-(4-(1-hydroxyethyl)phenoxy)isobutyrate?
The molecular formula of Ethyl 2-(4-(1-hydroxyethyl)phenoxy)isobutyrate is C14H20O4.
What is the molecular weight of Ethyl 2-(4-(1-hydroxyethyl)phenoxy)isobutyrate?
The molecular weight of Ethyl 2-(4-(1-hydroxyethyl)phenoxy)isobutyrate is 252.14 g/mol.
Where can I buy Ethyl 2-(4-(1-hydroxyethyl)phenoxy)isobutyrate?
You can request a quote for Ethyl 2-(4-(1-hydroxyethyl)phenoxy)isobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(4-(1-hydroxyethyl)phenoxy)isobutyrate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-(1-hydroxyethyl)phenoxy)isobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.