Ethyl 3-phenylpropionate
TL;DR: Ethyl 3-phenylpropionate (CAS 2021-28-5) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-phenylpropanoate
Also Known As: Ethyl 3-phenylpropionate, Ethyl 3-phenylpropanoate, Ethyl hydrocinnamate, Ethyl dihydrocinnamate, Benzenepropanoic acid, ethyl ester
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 148.0 |
| Boiling Point | 247.2 °C at 760 mmHg |
| Density | 1.009-1.017 |
| Solubility | less than 1 mg/mL at 77 °F (NTP, 1992) |
| Refractive Index | 1.492-1.497 |
Chemical Identifiers
| CAS Number | 2021-28-5 |
|---|---|
| SMILES | CCOC(=O)CCC1=CC=CC=C1 |
| InChIKey | JAGZUIGGHGTFHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-phenylpropionate (CAS 2021-28-5), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: ethyl 3-phenylpropanoate.
Chemical Property Profile of Ethyl 3-phenylpropionate
Property Insights of Ethyl 3-phenylpropionate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-phenylpropionate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3-phenylpropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-phenylpropionate 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 3-phenylpropionate?
The CAS number of Ethyl 3-phenylpropionate is 2021-28-5.
What is the molecular formula of Ethyl 3-phenylpropionate?
The molecular formula of Ethyl 3-phenylpropionate is C11H14O2.
What is the molecular weight of Ethyl 3-phenylpropionate?
The molecular weight of Ethyl 3-phenylpropionate is 178.10 g/mol.
Where can I buy Ethyl 3-phenylpropionate?
You can request a quote for Ethyl 3-phenylpropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-phenylpropionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-phenylpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.