Benzeneacetic acid, 4-fluoro-, ethyl ester
TL;DR: Benzeneacetic acid, 4-fluoro-, ethyl ester (CAS 587-88-2) is a chemical compound with molecular formula C10H11FO2 and molecular weight 182.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-fluorophenyl)acetate
Also Known As: ethyl 2-(4-fluorophenyl)acetate, Ethyl 4-fluorophenylacetate, 4-FLUOROPHENYLACETIC ACID ETHYL ESTER, Ethyl 4-fluorobenzeneacetate, Ethyl (p-fluorophenyl)acetate
| Molecular Formula | C10H11FO2 |
|---|---|
| Molecular Weight | 182.07 g/mol |
| LogP | 1.9313 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.07431 |
| Heavy Atoms | 13 |
| Complexity | 279.48114 |
Chemical Identifiers
| CAS Number | 587-88-2 |
|---|---|
| SMILES | CCOC(=O)CC1=CC=C(C=C1)F |
Product Overview
Benzeneacetic acid, 4-fluoro-, ethyl ester (CAS 587-88-2), with molecular formula C10H11FO2 and molecular weight 182.07 g/mol. IUPAC: ethyl 2-(4-fluorophenyl)acetate.
Chemical Property Profile of Benzeneacetic acid, 4-fluoro-, ethyl ester
Property Insights of Benzeneacetic acid, 4-fluoro-, ethyl ester
The XLogP value of 1.9313 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, 4-fluoro-, ethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Benzeneacetic acid, 4-fluoro-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-fluoro-, ethyl ester has 0 hydrogen bond donor(s) and 2 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 Benzeneacetic acid, 4-fluoro-, ethyl ester?
The CAS number of Benzeneacetic acid, 4-fluoro-, ethyl ester is 587-88-2.
What is the molecular formula of Benzeneacetic acid, 4-fluoro-, ethyl ester?
The molecular formula of Benzeneacetic acid, 4-fluoro-, ethyl ester is C10H11FO2.
What is the molecular weight of Benzeneacetic acid, 4-fluoro-, ethyl ester?
The molecular weight of Benzeneacetic acid, 4-fluoro-, ethyl ester is 182.07 g/mol.
Where can I buy Benzeneacetic acid, 4-fluoro-, ethyl ester?
You can request a quote for Benzeneacetic acid, 4-fluoro-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, 4-fluoro-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-fluoro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.