Ethyl 4-(4-chlorophenoxy)butanoate
TL;DR: Ethyl 4-(4-chlorophenoxy)butanoate (CAS 59227-79-1) is a chemical compound with molecular formula C12H15ClO3 and molecular weight 242.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-chlorophenoxy)butanoate
Also Known As: ethyl 4-(4-chlorophenoxy)butanoate, BUTANOIC ACID,4-(4-CHLOROPHENOXY)-, ETHYL ESTER
| Molecular Formula | C12H15ClO3 |
|---|---|
| Molecular Weight | 242.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 242.07097 |
| Heavy Atoms | 16 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 59227-79-1 |
|---|---|
| SMILES | CCOC(=O)CCCOC1=CC=C(C=C1)Cl |
| InChIKey | CMQSMINXUPJBTJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-(4-chlorophenoxy)butanoate (CAS 59227-79-1), with molecular formula C12H15ClO3 and molecular weight 242.07 g/mol. IUPAC: ethyl 4-(4-chlorophenoxy)butanoate.
Chemical Property Profile of Ethyl 4-(4-chlorophenoxy)butanoate
Property Insights of Ethyl 4-(4-chlorophenoxy)butanoate
The XLogP value of 3.9 indicates that Ethyl 4-(4-chlorophenoxy)butanoate 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-(4-chlorophenoxy)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(4-chlorophenoxy)butanoate 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-(4-chlorophenoxy)butanoate?
The CAS number of Ethyl 4-(4-chlorophenoxy)butanoate is 59227-79-1.
What is the molecular formula of Ethyl 4-(4-chlorophenoxy)butanoate?
The molecular formula of Ethyl 4-(4-chlorophenoxy)butanoate is C12H15ClO3.
What is the molecular weight of Ethyl 4-(4-chlorophenoxy)butanoate?
The molecular weight of Ethyl 4-(4-chlorophenoxy)butanoate is 242.07 g/mol.
Where can I buy Ethyl 4-(4-chlorophenoxy)butanoate?
You can request a quote for Ethyl 4-(4-chlorophenoxy)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(4-chlorophenoxy)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4-chlorophenoxy)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.