Ethyl 2-fluoro-3-phenyl-2-propenoate
TL;DR: Ethyl 2-fluoro-3-phenyl-2-propenoate (CAS 350-99-2) is a chemical compound with molecular formula C11H11FO2 and molecular weight 194.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-fluoro-3-phenylprop-2-enoate
Also Known As: ethyl 2-fluoro-3-phenyl-2-propenoate, ethyl(2e)-2-fluoro-3-phenylprop-2-enoate, ethyl (E/Z)-2-fluoro-3-phenylprop-2-enoate
| Molecular Formula | C11H11FO2 |
|---|---|
| Molecular Weight | 194.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.07431 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 350-99-2 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=CC=C1)F |
| InChIKey | YLDYYTGJNSYKME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-fluoro-3-phenyl-2-propenoate (CAS 350-99-2), with molecular formula C11H11FO2 and molecular weight 194.07 g/mol. IUPAC: ethyl 2-fluoro-3-phenylprop-2-enoate.
Chemical Property Profile of Ethyl 2-fluoro-3-phenyl-2-propenoate
Property Insights of Ethyl 2-fluoro-3-phenyl-2-propenoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-fluoro-3-phenyl-2-propenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-fluoro-3-phenyl-2-propenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-fluoro-3-phenyl-2-propenoate 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-fluoro-3-phenyl-2-propenoate?
The CAS number of Ethyl 2-fluoro-3-phenyl-2-propenoate is 350-99-2.
What is the molecular formula of Ethyl 2-fluoro-3-phenyl-2-propenoate?
The molecular formula of Ethyl 2-fluoro-3-phenyl-2-propenoate is C11H11FO2.
What is the molecular weight of Ethyl 2-fluoro-3-phenyl-2-propenoate?
The molecular weight of Ethyl 2-fluoro-3-phenyl-2-propenoate is 194.07 g/mol.
Where can I buy Ethyl 2-fluoro-3-phenyl-2-propenoate?
You can request a quote for Ethyl 2-fluoro-3-phenyl-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-fluoro-3-phenyl-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-fluoro-3-phenyl-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.