3-Phenylprop-2-enyl octanoate
TL;DR: 3-Phenylprop-2-enyl octanoate (CAS 142960-30-3) is a chemical compound with molecular formula C17H24O2 and molecular weight 260.17764 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenylprop-2-enyl octanoate
Technical Specifications
| Molecular Formula | C17H24O2 |
| Molecular Weight | 260.17764 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 260.17764 Da |
| Heavy Atoms | 19 |
| Complexity | 252.0 |
| SMILES | CCCCCCCC(=O)OCC=CC1=CC=CC=C1 |
| InChIKey | PVZVJEAWIPTITN-UHFFFAOYSA-N |
Chemical Property Profile of 3-Phenylprop-2-enyl octanoate
Property Insights of 3-Phenylprop-2-enyl octanoate
The XLogP value of 5.2 indicates that 3-Phenylprop-2-enyl octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Phenylprop-2-enyl octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylprop-2-enyl octanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3-Phenylprop-2-enyl octanoate?
The CAS number of 3-Phenylprop-2-enyl octanoate is 142960-30-3.
What is the molecular formula of 3-Phenylprop-2-enyl octanoate?
The molecular formula of 3-Phenylprop-2-enyl octanoate is C17H24O2.
What is the molecular weight of 3-Phenylprop-2-enyl octanoate?
The molecular weight of 3-Phenylprop-2-enyl octanoate is 260.17764 g/mol.
Where can I buy 3-Phenylprop-2-enyl octanoate?
You can request a quote for 3-Phenylprop-2-enyl octanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Phenylprop-2-enyl octanoate?
Yes, CoreyChem provides custom synthesis services for 3-Phenylprop-2-enyl octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.