Cinnamyl 2-methylpropanoate
TL;DR: Cinnamyl 2-methylpropanoate (CAS 103-59-3) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenylprop-2-enyl 2-methylpropanoate
Also Known As: Cinnamyl isobutyrate, cinnamylisobutyrat-, Cinnamyl 2-methylpropanoate, isobutyric acid cinnamyl ester, 3-phenylprop-2-enyl 2-methylpropanoate
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H16O2 |
| Molecular Weight | 204.11504 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 204.11504 Da |
| Heavy Atoms | 15 |
| Complexity | 213.0 |
| SMILES | CC(C)C(=O)OCC=CC1=CC=CC=C1 |
| InChIKey | KLKQSZIWHVEARN-UHFFFAOYSA-N |
Chemical Property Profile of Cinnamyl 2-methylpropanoate
Property Insights of Cinnamyl 2-methylpropanoate
The XLogP value of 3.3 indicates that Cinnamyl 2-methylpropanoate 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 2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cinnamyl 2-methylpropanoate 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 Cinnamyl 2-methylpropanoate?
The CAS number of Cinnamyl 2-methylpropanoate is 103-59-3.
What is the molecular formula of Cinnamyl 2-methylpropanoate?
The molecular formula of Cinnamyl 2-methylpropanoate is C13H16O2.
What is the molecular weight of Cinnamyl 2-methylpropanoate?
The molecular weight of Cinnamyl 2-methylpropanoate is 204.11504 g/mol.
Where can I buy Cinnamyl 2-methylpropanoate?
You can request a quote for Cinnamyl 2-methylpropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cinnamyl 2-methylpropanoate?
Yes, CoreyChem provides custom synthesis services for Cinnamyl 2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.