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Ethyl[4-chloro-2-(chloromethyl)phenoxy]acetate
TL;DR: Ethyl[4-chloro-2-(chloromethyl)phenoxy]acetate (CAS 88321-08-8) is a chemical compound with molecular formula C11H12Cl2O3 and molecular weight 262.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-chloro-2-(chloromethyl)phenoxy]acetate
Also Known As: 5-Chlor-2-p-tolylsulfon-anilin, ethyl[4-chloro-2-(chloromethyl)phenoxy]acetate, ethyl 2-[4-chloro-2-(chloromethyl)phenoxy]acetate, ethyl [4-chloro-2-(chloromethyl)phenoxy]acetate, Acetic acid, 2-[4-chloro-2-(chloromethyl)phenoxy]-, ethyl ester
| Molecular Formula | C11H12Cl2O3 |
|---|---|
| Molecular Weight | 262.02 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 262.01636 |
| Heavy Atoms | 16 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 88321-08-8 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C=C(C=C1)Cl)CCl |
| InChIKey | PWRQJAYFNAASMQ-UHFFFAOYSA-N |
Product Overview
Ethyl[4-chloro-2-(chloromethyl)phenoxy]acetate (CAS 88321-08-8), with molecular formula C11H12Cl2O3 and molecular weight 262.02 g/mol. IUPAC: ethyl 2-[4-chloro-2-(chloromethyl)phenoxy]acetate.
Chemical Property Profile of Ethyl[4-chloro-2-(chloromethyl)phenoxy]acetate
Property Insights of Ethyl[4-chloro-2-(chloromethyl)phenoxy]acetate
The XLogP value of 3.2 indicates that Ethyl[4-chloro-2-(chloromethyl)phenoxy]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-chloro-2-(chloromethyl)phenoxy]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl[4-chloro-2-(chloromethyl)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[4-chloro-2-(chloromethyl)phenoxy]acetate?
The CAS number of Ethyl[4-chloro-2-(chloromethyl)phenoxy]acetate is 88321-08-8.
What is the molecular formula of Ethyl[4-chloro-2-(chloromethyl)phenoxy]acetate?
The molecular formula of Ethyl[4-chloro-2-(chloromethyl)phenoxy]acetate is C11H12Cl2O3.
What is the molecular weight of Ethyl[4-chloro-2-(chloromethyl)phenoxy]acetate?
The molecular weight of Ethyl[4-chloro-2-(chloromethyl)phenoxy]acetate is 262.02 g/mol.
Where can I buy Ethyl[4-chloro-2-(chloromethyl)phenoxy]acetate?
You can request a quote for Ethyl[4-chloro-2-(chloromethyl)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[4-chloro-2-(chloromethyl)phenoxy]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl[4-chloro-2-(chloromethyl)phenoxy]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.