Cinnamyl 4-fluorobenzoate
TL;DR: Cinnamyl 4-fluorobenzoate (CAS 1292766-57-4) is a chemical compound with molecular formula C16H13FO2 and molecular weight 256.08997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(E)-3-phenylprop-2-enyl] 4-fluorobenzoate
Also Known As: cinnamyl 4-fluorobenzoate, 4-Fluorobenzoic acid cinnamyl ester, [(E)-3-phenylprop-2-enyl] 4-fluorobenzoate, J3.445.111G, (2E)-3-phenylprop-2-en-1-yl 4-fluorobenzoate
Technical Specifications
| Molecular Formula | C16H13FO2 |
| Molecular Weight | 256.08997 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.08997 Da |
| Heavy Atoms | 19 |
| Complexity | 300.0 |
| SMILES | C1=CC=C(C=C1)/C=C/COC(=O)C2=CC=C(C=C2)F |
| InChIKey | WGAVBXFZWWLTMW-QPJJXVBHSA-N |
Chemical Property Profile of Cinnamyl 4-fluorobenzoate
Property Insights of Cinnamyl 4-fluorobenzoate
The XLogP value of 4.0 indicates that Cinnamyl 4-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Cinnamyl 4-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cinnamyl 4-fluorobenzoate 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
What is the CAS number of Cinnamyl 4-fluorobenzoate?
The CAS number of Cinnamyl 4-fluorobenzoate is 1292766-57-4.
What is the molecular formula of Cinnamyl 4-fluorobenzoate?
The molecular formula of Cinnamyl 4-fluorobenzoate is C16H13FO2.
What is the molecular weight of Cinnamyl 4-fluorobenzoate?
The molecular weight of Cinnamyl 4-fluorobenzoate is 256.08997 g/mol.
Where can I buy Cinnamyl 4-fluorobenzoate?
You can request a quote for Cinnamyl 4-fluorobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cinnamyl 4-fluorobenzoate?
Yes, CoreyChem provides custom synthesis services for Cinnamyl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.