Ethyl 4-(4-fluorophenoxy)butanoate
TL;DR: Ethyl 4-(4-fluorophenoxy)butanoate (CAS 69687-96-3) is a chemical compound with molecular formula C12H15FO3 and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-fluorophenoxy)butanoate
Also Known As: Ethyl 4-(4-fluorophenoxy)butanoate, Ethyl 4-(4-fluoro-phenoxy)butanoate, 4-(4-Fluorophenoxy)butyric acid ethyl ester, 4-(4-Fluorophenoxy)butanoic acid ethyl ester, Ethyl 4-(4-fluorophenoxy)butanoate #
| Molecular Formula | C12H15FO3 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 226.10052 |
| Heavy Atoms | 16 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 69687-96-3 |
|---|---|
| SMILES | CCOC(=O)CCCOC1=CC=C(C=C1)F |
| InChIKey | MHWJYMIHCGLWCP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-(4-fluorophenoxy)butanoate (CAS 69687-96-3), with molecular formula C12H15FO3 and molecular weight 226.10 g/mol. IUPAC: ethyl 4-(4-fluorophenoxy)butanoate.
Chemical Property Profile of Ethyl 4-(4-fluorophenoxy)butanoate
Property Insights of Ethyl 4-(4-fluorophenoxy)butanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(4-fluorophenoxy)butanoate. With a topological polar surface area (TPSA) of 35.5 Ų, Ethyl 4-(4-fluorophenoxy)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(4-fluorophenoxy)butanoate has 0 hydrogen bond donor(s) and 4 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-fluorophenoxy)butanoate?
The CAS number of Ethyl 4-(4-fluorophenoxy)butanoate is 69687-96-3.
What is the molecular formula of Ethyl 4-(4-fluorophenoxy)butanoate?
The molecular formula of Ethyl 4-(4-fluorophenoxy)butanoate is C12H15FO3.
What is the molecular weight of Ethyl 4-(4-fluorophenoxy)butanoate?
The molecular weight of Ethyl 4-(4-fluorophenoxy)butanoate is 226.10 g/mol.
Where can I buy Ethyl 4-(4-fluorophenoxy)butanoate?
You can request a quote for Ethyl 4-(4-fluorophenoxy)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-fluorophenoxy)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4-fluorophenoxy)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.