2-Chloroethyl 2-(4-chlorophenoxy)-2-methylpropionate
TL;DR: 2-Chloroethyl 2-(4-chlorophenoxy)-2-methylpropionate (CAS 52161-12-3) 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.
2-chloroethyl 2-(4-chlorophenoxy)-2-methylpropanoate
Also Known As: 2-Chloroethyl 2-(4-chlorophenoxy)-2-methylpropanoate, 2-Chloroethyl 2-(4-chlorophenoxy)-2-methylpropionate, 2-chloroethyl2- -2-methylpropionate, 2-Chloroethyl 2-(4-chlorophenoxy)-2-methylpropanoate #, 1-(2-p-chlorophenoxy-2-methylpropionyloxy)-2-chloro-ethane
| Molecular Formula | C12H14Cl2O3 |
|---|---|
| Molecular Weight | 276.03 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 276.032 |
| Heavy Atoms | 17 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 52161-12-3 |
|---|---|
| SMILES | CC(C)(C(=O)OCCCl)OC1=CC=C(C=C1)Cl |
| InChIKey | IUAXUYMFMHJWHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloroethyl 2-(4-chlorophenoxy)-2-methylpropionate (CAS 52161-12-3), with molecular formula C12H14Cl2O3 and molecular weight 276.03 g/mol. IUPAC: 2-chloroethyl 2-(4-chlorophenoxy)-2-methylpropanoate.
Chemical Property Profile of 2-Chloroethyl 2-(4-chlorophenoxy)-2-methylpropionate
Property Insights of 2-Chloroethyl 2-(4-chlorophenoxy)-2-methylpropionate
The XLogP value of 3.6 indicates that 2-Chloroethyl 2-(4-chlorophenoxy)-2-methylpropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Chloroethyl 2-(4-chlorophenoxy)-2-methylpropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl 2-(4-chlorophenoxy)-2-methylpropionate 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 2-Chloroethyl 2-(4-chlorophenoxy)-2-methylpropionate?
The CAS number of 2-Chloroethyl 2-(4-chlorophenoxy)-2-methylpropionate is 52161-12-3.
What is the molecular formula of 2-Chloroethyl 2-(4-chlorophenoxy)-2-methylpropionate?
The molecular formula of 2-Chloroethyl 2-(4-chlorophenoxy)-2-methylpropionate is C12H14Cl2O3.
What is the molecular weight of 2-Chloroethyl 2-(4-chlorophenoxy)-2-methylpropionate?
The molecular weight of 2-Chloroethyl 2-(4-chlorophenoxy)-2-methylpropionate is 276.03 g/mol.
Where can I buy 2-Chloroethyl 2-(4-chlorophenoxy)-2-methylpropionate?
You can request a quote for 2-Chloroethyl 2-(4-chlorophenoxy)-2-methylpropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl 2-(4-chlorophenoxy)-2-methylpropionate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl 2-(4-chlorophenoxy)-2-methylpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.