Ethyl 2-(2,4-dichlorophenoxy)-2-methylpropanoate
TL;DR: Ethyl 2-(2,4-dichlorophenoxy)-2-methylpropanoate (CAS 58937-27-2) is a chemical compound with molecular formula C12H14Cl2O3 and molecular weight 276.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2,4-dichlorophenoxy)-2-methylpropanoate
Also Known As: ethyl 2-(2,4-dichlorophenoxy)-2-methylpropanoate, ethyl 2-(2,4-dichlorophenoxy)-2-methylpropionate, alpha-(2,4-dichloro-phenoxy)-isobutyric acid ethyl ester, 2-(2,4-dichloro-phenoxy)-2-methyl-propionic acid ethyl ester
| Molecular Formula | C12H14Cl2O3 |
|---|---|
| Molecular Weight | 276.03 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.032 |
| Heavy Atoms | 17 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 58937-27-2 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)OC1=C(C=C(C=C1)Cl)Cl |
| InChIKey | SJZLFUWJWDEEPZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-(2,4-dichlorophenoxy)-2-methylpropanoate (CAS 58937-27-2), with molecular formula C12H14Cl2O3 and molecular weight 276.03 g/mol. IUPAC: ethyl 2-(2,4-dichlorophenoxy)-2-methylpropanoate.
Chemical Property Profile of Ethyl 2-(2,4-dichlorophenoxy)-2-methylpropanoate
Property Insights of Ethyl 2-(2,4-dichlorophenoxy)-2-methylpropanoate
The XLogP value of 4.0 indicates that Ethyl 2-(2,4-dichlorophenoxy)-2-methylpropanoate 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 2-(2,4-dichlorophenoxy)-2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(2,4-dichlorophenoxy)-2-methylpropanoate 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-(2,4-dichlorophenoxy)-2-methylpropanoate?
The CAS number of Ethyl 2-(2,4-dichlorophenoxy)-2-methylpropanoate is 58937-27-2.
What is the molecular formula of Ethyl 2-(2,4-dichlorophenoxy)-2-methylpropanoate?
The molecular formula of Ethyl 2-(2,4-dichlorophenoxy)-2-methylpropanoate is C12H14Cl2O3.
What is the molecular weight of Ethyl 2-(2,4-dichlorophenoxy)-2-methylpropanoate?
The molecular weight of Ethyl 2-(2,4-dichlorophenoxy)-2-methylpropanoate is 276.03 g/mol.
Where can I buy Ethyl 2-(2,4-dichlorophenoxy)-2-methylpropanoate?
You can request a quote for Ethyl 2-(2,4-dichlorophenoxy)-2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(2,4-dichlorophenoxy)-2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2,4-dichlorophenoxy)-2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.