Ethyl 3-phenylprop-2-enoate
TL;DR: Ethyl 3-phenylprop-2-enoate (CAS 103-36-6) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-phenylprop-2-enoate
Also Known As: ETHYL CINNAMATE, Ethylcinnamate, Ethyl 3-phenylprop-2-enoate, Ethyl 3-phenylacrylate, Ethyl (E)-cinnamate
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.08372 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.08372 Da |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
| Purity | ≥98% |
| Melting Point | 6.0 |
| Boiling Point | 271.0 |
| Density | 1.049 |
| Refractive Index | n20/D 1.558 (lit.) |
| SMILES | CCOC(=O)C=CC1=CC=CC=C1 |
| InChIKey | KBEBGUQPQBELIU-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-phenylprop-2-enoate
Property Insights of Ethyl 3-phenylprop-2-enoate
The XLogP value of 3.0 indicates that Ethyl 3-phenylprop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3-phenylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-phenylprop-2-enoate 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
What is the CAS number of Ethyl 3-phenylprop-2-enoate?
The CAS number of Ethyl 3-phenylprop-2-enoate is 103-36-6.
What is the molecular formula of Ethyl 3-phenylprop-2-enoate?
The molecular formula of Ethyl 3-phenylprop-2-enoate is C11H12O2.
What is the molecular weight of Ethyl 3-phenylprop-2-enoate?
The molecular weight of Ethyl 3-phenylprop-2-enoate is 176.08372 g/mol.
Where can I buy Ethyl 3-phenylprop-2-enoate?
You can request a quote for Ethyl 3-phenylprop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-phenylprop-2-enoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-phenylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.