2-(4-Chlorophenoxy)propionic acid ethyl ester
TL;DR: 2-(4-Chlorophenoxy)propionic acid ethyl ester (CAS 18671-89-1) 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-chlorophenoxy)propanoate
Also Known As: ethyl 2-(4-chlorophenoxy)propanoate, ethyl a-(4-chlorophenoxy)propionate, 2-(4-Chlorophenoxy)propionic acid ethyl ester, Propanoic acid, 2-(4-chlorophenoxy)-, ethyl ester, RefChem:252144
| Molecular Formula | C11H13ClO3 |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.05533 |
| Heavy Atoms | 15 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 18671-89-1 |
|---|---|
| SMILES | CCOC(=O)C(C)OC1=CC=C(C=C1)Cl |
| InChIKey | IZYDEGTZWAIWAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Chlorophenoxy)propionic acid ethyl ester (CAS 18671-89-1), with molecular formula C11H13ClO3 and molecular weight 228.06 g/mol. IUPAC: ethyl 2-(4-chlorophenoxy)propanoate.
Chemical Property Profile of 2-(4-Chlorophenoxy)propionic acid ethyl ester
Property Insights of 2-(4-Chlorophenoxy)propionic acid ethyl ester
The XLogP value of 3.0 indicates that 2-(4-Chlorophenoxy)propionic acid ethyl ester 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-(4-Chlorophenoxy)propionic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenoxy)propionic 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 2-(4-Chlorophenoxy)propionic acid ethyl ester?
The CAS number of 2-(4-Chlorophenoxy)propionic acid ethyl ester is 18671-89-1.
What is the molecular formula of 2-(4-Chlorophenoxy)propionic acid ethyl ester?
The molecular formula of 2-(4-Chlorophenoxy)propionic acid ethyl ester is C11H13ClO3.
What is the molecular weight of 2-(4-Chlorophenoxy)propionic acid ethyl ester?
The molecular weight of 2-(4-Chlorophenoxy)propionic acid ethyl ester is 228.06 g/mol.
Where can I buy 2-(4-Chlorophenoxy)propionic acid ethyl ester?
You can request a quote for 2-(4-Chlorophenoxy)propionic 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 2-(4-Chlorophenoxy)propionic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenoxy)propionic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.