Ethyl 2-(4-fluorophenoxy)-2-methylpropanoate
TL;DR: Ethyl 2-(4-fluorophenoxy)-2-methylpropanoate (CAS 587-12-2) 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 2-(4-fluorophenoxy)-2-methylpropanoate
Also Known As: ethyl 2-(4-fluorophenoxy)-2-methylpropanoate, Propanoic acid, 2-(4-fluorophenoxy)-2-methyl-, ethyl ester, Ethyl 2-(4-fluorophenoxy)-2-methyl-propanoate, Ethyl-2-(4-fluorphenoxy)-2-methylpropionat, N/A
| Molecular Formula | C12H15FO3 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 2.5462 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.10052 |
| Heavy Atoms | 16 |
| Complexity | 357.03156 |
Chemical Identifiers
| CAS Number | 587-12-2 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)OC1=CC=C(C=C1)F |
Product Overview
Ethyl 2-(4-fluorophenoxy)-2-methylpropanoate (CAS 587-12-2), with molecular formula C12H15FO3 and molecular weight 226.10 g/mol. IUPAC: ethyl 2-(4-fluorophenoxy)-2-methylpropanoate.
Chemical Property Profile of Ethyl 2-(4-fluorophenoxy)-2-methylpropanoate
Property Insights of Ethyl 2-(4-fluorophenoxy)-2-methylpropanoate
The XLogP value of 2.5462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(4-fluorophenoxy)-2-methylpropanoate. With a topological polar surface area (TPSA) of 35.53 Ų, Ethyl 2-(4-fluorophenoxy)-2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(4-fluorophenoxy)-2-methylpropanoate 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 2-(4-fluorophenoxy)-2-methylpropanoate?
The CAS number of Ethyl 2-(4-fluorophenoxy)-2-methylpropanoate is 587-12-2.
What is the molecular formula of Ethyl 2-(4-fluorophenoxy)-2-methylpropanoate?
The molecular formula of Ethyl 2-(4-fluorophenoxy)-2-methylpropanoate is C12H15FO3.
What is the molecular weight of Ethyl 2-(4-fluorophenoxy)-2-methylpropanoate?
The molecular weight of Ethyl 2-(4-fluorophenoxy)-2-methylpropanoate is 226.10 g/mol.
Where can I buy Ethyl 2-(4-fluorophenoxy)-2-methylpropanoate?
You can request a quote for Ethyl 2-(4-fluorophenoxy)-2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(4-fluorophenoxy)-2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-fluorophenoxy)-2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.