(4-Chloromethyl-phenoxy)-acetic acid ethyl ester
TL;DR: (4-Chloromethyl-phenoxy)-acetic acid ethyl ester (CAS 80494-75-3) is a chemical compound with molecular formula C11H13ClO3 and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(chloromethyl)phenoxy]acetate
Also Known As: Ethyl 2-[4-(chloromethyl)phenoxy]acetate, 1-Chloro-2,3-indoledione, (4-Chloromethyl-phenoxy)-acetic acid ethyl ester, ethyl 4-chloromethylphenoxyacetate, Ethyl [4-(chloromethyl)phenoxy]acetate
| Molecular Formula | C11H13ClO3 |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 2.3673 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.05533 |
| Heavy Atoms | 15 |
| Complexity | 308.114 |
Chemical Identifiers
| CAS Number | 80494-75-3 |
|---|---|
| SMILES | CCOC(=O)COC1=CC=C(C=C1)CCl |
Product Overview
(4-Chloromethyl-phenoxy)-acetic acid ethyl ester (CAS 80494-75-3), with molecular formula C11H13ClO3 and molecular weight 228.06 g/mol. IUPAC: ethyl 2-[4-(chloromethyl)phenoxy]acetate.
Chemical Property Profile of (4-Chloromethyl-phenoxy)-acetic acid ethyl ester
Property Insights of (4-Chloromethyl-phenoxy)-acetic acid ethyl ester
The XLogP value of 2.3673 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Chloromethyl-phenoxy)-acetic acid ethyl ester. With a topological polar surface area (TPSA) of 35.53 Ų, (4-Chloromethyl-phenoxy)-acetic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Chloromethyl-phenoxy)-acetic acid ethyl ester 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 (4-Chloromethyl-phenoxy)-acetic acid ethyl ester?
The CAS number of (4-Chloromethyl-phenoxy)-acetic acid ethyl ester is 80494-75-3.
What is the molecular formula of (4-Chloromethyl-phenoxy)-acetic acid ethyl ester?
The molecular formula of (4-Chloromethyl-phenoxy)-acetic acid ethyl ester is C11H13ClO3.
What is the molecular weight of (4-Chloromethyl-phenoxy)-acetic acid ethyl ester?
The molecular weight of (4-Chloromethyl-phenoxy)-acetic acid ethyl ester is 228.06 g/mol.
Where can I buy (4-Chloromethyl-phenoxy)-acetic acid ethyl ester?
You can request a quote for (4-Chloromethyl-phenoxy)-acetic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Chloromethyl-phenoxy)-acetic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (4-Chloromethyl-phenoxy)-acetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.