Ethyl 2-ethyl-3-phenylpropanoate
TL;DR: Ethyl 2-ethyl-3-phenylpropanoate (CAS 2983-36-0) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzylbutanoate
Also Known As: Ethyl 2-benzylbutanoate, Ethyl 2-benzylbutyrate, Ethyl 2-ethyl-3-phenylpropanoate, Ethyl 2-ethyldihydrocinnamate, Ethyl 2-ethylbenzenepropanoate
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 183.0 |
| Boiling Point | 72.00 °C. @ 0.09 mm Hg |
| Density | 0.972-0.979 |
| Solubility | Soluble in oils; Insoluble in water |
| Refractive Index | 1.483-1.489 |
Chemical Identifiers
| CAS Number | 2983-36-0 |
|---|---|
| SMILES | CCC(CC1=CC=CC=C1)C(=O)OCC |
| InChIKey | QDCUBAFTOOPBFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-ethyl-3-phenylpropanoate (CAS 2983-36-0), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: ethyl 2-benzylbutanoate.
Chemical Property Profile of Ethyl 2-ethyl-3-phenylpropanoate
Property Insights of Ethyl 2-ethyl-3-phenylpropanoate
The XLogP value of 3.3 indicates that Ethyl 2-ethyl-3-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-ethyl-3-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-ethyl-3-phenylpropanoate 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 Ethyl 2-ethyl-3-phenylpropanoate?
The CAS number of Ethyl 2-ethyl-3-phenylpropanoate is 2983-36-0.
What is the molecular formula of Ethyl 2-ethyl-3-phenylpropanoate?
The molecular formula of Ethyl 2-ethyl-3-phenylpropanoate is C13H18O2.
What is the molecular weight of Ethyl 2-ethyl-3-phenylpropanoate?
The molecular weight of Ethyl 2-ethyl-3-phenylpropanoate is 206.13 g/mol.
Where can I buy Ethyl 2-ethyl-3-phenylpropanoate?
You can request a quote for Ethyl 2-ethyl-3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-ethyl-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-ethyl-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.