3-Phenyl-2-propenyl propanoate
TL;DR: 3-Phenyl-2-propenyl propanoate (CAS 103-56-0) 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.
3-phenylprop-2-enyl propanoate
Also Known As: Cinnamyl propionate, Cinnamyl propanoate, 3-phenylallyl propanoate, (E)-cinnamyl propionate, 3-Phenylallyl propionate
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H14O2 |
| Molecular Weight | 190.09938 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 190.09938 Da |
| Heavy Atoms | 14 |
| Complexity | 190.0 |
| SMILES | CCC(=O)OCC=CC1=CC=CC=C1 |
| InChIKey | KGDJMNKPBUNHGY-UHFFFAOYSA-N |
Chemical Property Profile of 3-Phenyl-2-propenyl propanoate
Property Insights of 3-Phenyl-2-propenyl propanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-2-propenyl propanoate. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Phenyl-2-propenyl propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-2-propenyl propanoate 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 3-Phenyl-2-propenyl propanoate?
The CAS number of 3-Phenyl-2-propenyl propanoate is 103-56-0.
What is the molecular formula of 3-Phenyl-2-propenyl propanoate?
The molecular formula of 3-Phenyl-2-propenyl propanoate is C12H14O2.
What is the molecular weight of 3-Phenyl-2-propenyl propanoate?
The molecular weight of 3-Phenyl-2-propenyl propanoate is 190.09938 g/mol.
Where can I buy 3-Phenyl-2-propenyl propanoate?
You can request a quote for 3-Phenyl-2-propenyl propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Phenyl-2-propenyl propanoate?
Yes, CoreyChem provides custom synthesis services for 3-Phenyl-2-propenyl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.