2-Phenylethyl 2-methylbut-2-enoate
TL;DR: 2-Phenylethyl 2-methylbut-2-enoate (CAS 1139947-37-7) 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.
2-phenylethyl 2-methylbut-2-enoate
Also Known As: Phenethyl tiglate, phenethyl 2-methylbut-2-enoate, 2-phenylethyl 2-methylbut-2-enoate, phenethyl (E)-2-methylbut-2-enoate, 2-phenylethyl (E)-2-methylbut-2-enoate
Application Areas
Top 5 of 5 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 | 225.0 |
| SMILES | CC=C(C)C(=O)OCCC1=CC=CC=C1 |
| InChIKey | KVMWYGAYARXPOL-UHFFFAOYSA-N |
Chemical Property Profile of 2-Phenylethyl 2-methylbut-2-enoate
Property Insights of 2-Phenylethyl 2-methylbut-2-enoate
The XLogP value of 3.3 indicates that 2-Phenylethyl 2-methylbut-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, 2-Phenylethyl 2-methylbut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylethyl 2-methylbut-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 2-Phenylethyl 2-methylbut-2-enoate?
The CAS number of 2-Phenylethyl 2-methylbut-2-enoate is 1139947-37-7.
What is the molecular formula of 2-Phenylethyl 2-methylbut-2-enoate?
The molecular formula of 2-Phenylethyl 2-methylbut-2-enoate is C13H16O2.
What is the molecular weight of 2-Phenylethyl 2-methylbut-2-enoate?
The molecular weight of 2-Phenylethyl 2-methylbut-2-enoate is 204.11504 g/mol.
Where can I buy 2-Phenylethyl 2-methylbut-2-enoate?
You can request a quote for 2-Phenylethyl 2-methylbut-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Phenylethyl 2-methylbut-2-enoate?
Yes, CoreyChem provides custom synthesis services for 2-Phenylethyl 2-methylbut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.