Butyl 3-phenylprop-2-enoate
TL;DR: Butyl 3-phenylprop-2-enoate (CAS 538-65-8) 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.
butyl 3-phenylprop-2-enoate
Also Known As: BUTYL CINNAMATE, n-Butyl cinnamate, Eliminoxy, butyl 3-phenylprop-2-enoate, CINNAMYL-n-BUTYRATE
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H16O2 |
| Molecular Weight | 204.11504 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 204.11504 Da |
| Heavy Atoms | 15 |
| Complexity | 203.0 |
| SMILES | CCCCOC(=O)C=CC1=CC=CC=C1 |
| InChIKey | OHHIVLJVBNCSHV-UHFFFAOYSA-N |
Product Description
Applications: Butyl 3-phenylprop-2-enoate is used in complex organic molecule assembly across discovery and process chemistry, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Butyl 3-phenylprop-2-enoate (CAS 538-65-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A organic building block supplied by CoreyChem, Butyl 3-phenylprop-2-enoate (CAS 538-65-8) has the molecular formula C13H16O2 and a molecular weight of 204.12 g/mol. It is also known as BUTYL CINNAMATE and n-Butyl cinnamate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Butyl 3-phenylprop-2-enoate
Property Insights of Butyl 3-phenylprop-2-enoate
The XLogP value of 3.9 indicates that Butyl 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, Butyl 3-phenylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 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 Butyl 3-phenylprop-2-enoate?
The CAS number of Butyl 3-phenylprop-2-enoate is 538-65-8.
What is the molecular formula of Butyl 3-phenylprop-2-enoate?
The molecular formula of Butyl 3-phenylprop-2-enoate is C13H16O2.
What is the molecular weight of Butyl 3-phenylprop-2-enoate?
The molecular weight of Butyl 3-phenylprop-2-enoate is 204.11504 g/mol.
What are the applications of Butyl 3-phenylprop-2-enoate?
Butyl 3-phenylprop-2-enoate is used in complex organic molecule assembly across discovery and process chemistry, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Butyl 3-phenylprop-2-enoate...
Where can I buy Butyl 3-phenylprop-2-enoate?
You can request a quote for Butyl 3-phenylprop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyl 3-phenylprop-2-enoate?
Yes, CoreyChem provides custom synthesis services for Butyl 3-phenylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.