Allyl 3-phenylpropionate
TL;DR: Allyl 3-phenylpropionate (CAS 15814-45-6) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
prop-2-enyl 3-phenylpropanoate
Also Known As: Allyl 3-phenylpropionate, Allyl 3-phenylpropanoate, Hydrocinnamic acid, allyl ester, prop-2-enyl 3-phenylpropanoate, 2-propen-1-yl 3-phenypropionate
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.09938 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 190.09938 Da |
| Heavy Atoms | 14 |
| Complexity | 181.0 |
| SMILES | C=CCOC(=O)CCC1=CC=CC=C1 |
| InChIKey | XZZUAUYBSOXKLR-UHFFFAOYSA-N |
Chemical Property Profile of Allyl 3-phenylpropionate
Property Insights of Allyl 3-phenylpropionate
The XLogP value of 3.0 indicates that Allyl 3-phenylpropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Allyl 3-phenylpropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl 3-phenylpropionate 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 Allyl 3-phenylpropionate?
The CAS number of Allyl 3-phenylpropionate is 15814-45-6.
What is the molecular formula of Allyl 3-phenylpropionate?
The molecular formula of Allyl 3-phenylpropionate is C12H14O2.
What is the molecular weight of Allyl 3-phenylpropionate?
The molecular weight of Allyl 3-phenylpropionate is 190.09938 g/mol.
Where can I buy Allyl 3-phenylpropionate?
You can request a quote for Allyl 3-phenylpropionate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Allyl 3-phenylpropionate?
Yes, CoreyChem provides custom synthesis services for Allyl 3-phenylpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.