Phenethyl senecioate
TL;DR: Phenethyl senecioate (CAS 42078-65-9) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 3-methylbut-2-enoate
Also Known As: Phenethyl senecioate, 2-Phenylethyl senecioate, 2-phenylethyl 3-methylbut-2-enoate, Phenethyl 3-methylcrotonate, Phenethyl 3-methylbut-2-enoate
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 221.0 |
| Boiling Point | 285.00 to 287.00 °C. @ 760.00 mm Hg |
| Density | 1.011-1.019 |
| Solubility | Insoluble in water; soluble in oils |
| Refractive Index | 1.514-1.520 |
Chemical Identifiers
| CAS Number | 42078-65-9 |
|---|---|
| SMILES | CC(=CC(=O)OCCC1=CC=CC=C1)C |
| InChIKey | QTCRFFUEUAXZNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenethyl senecioate (CAS 42078-65-9), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: 2-phenylethyl 3-methylbut-2-enoate.
Chemical Property Profile of Phenethyl senecioate
Property Insights of Phenethyl senecioate
The XLogP value of 3.7 indicates that Phenethyl senecioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Phenethyl senecioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethyl senecioate 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
Frequently Asked Questions
What is the CAS number of Phenethyl senecioate?
The CAS number of Phenethyl senecioate is 42078-65-9.
What is the molecular formula of Phenethyl senecioate?
The molecular formula of Phenethyl senecioate is C13H16O2.
What is the molecular weight of Phenethyl senecioate?
The molecular weight of Phenethyl senecioate is 204.12 g/mol.
Where can I buy Phenethyl senecioate?
You can request a quote for Phenethyl senecioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenethyl senecioate?
Yes, KEHONG BIO provides custom synthesis services for Phenethyl senecioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.