3-苯基丙烯-2-酸乙酯
TL;DR: 3-苯基丙烯-2-酸乙酯 (CAS 103-36-6) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-苯基丙烯-2-酸乙酯
ethyl 3-phenylprop-2-enoate
Also Known As: ETHYL CINNAMATE, Ethylcinnamate, Ethyl 3-phenylprop-2-enoate, Ethyl 3-phenylacrylate, Ethyl (E)-cinnamate
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 179.0 |
| Melting Point | 6.0 |
| Boiling Point | 271.0 |
| Density | 1.049 |
| Refractive Index | n20 1.558 (lit.) |
Chemical Identifiers
| CAS Number | 103-36-6 |
|---|---|
| SMILES | CCOC(=O)C=CC1=CC=CC=C1 |
| InChIKey | KBEBGUQPQBELIU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-苯基丙烯-2-酸乙酯 (CAS 103-36-6), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: ethyl 3-phenylprop-2-enoate.
Chemical Property Profile of 3-苯基丙烯-2-酸乙酯
Property Insights of 3-苯基丙烯-2-酸乙酯
The XLogP value of 3.0 indicates that 3-苯基丙烯-2-酸乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-苯基丙烯-2-酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-苯基丙烯-2-酸乙酯 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 3-苯基丙烯-2-酸乙酯?
The CAS number of 3-苯基丙烯-2-酸乙酯 is 103-36-6.
What is the molecular formula of 3-苯基丙烯-2-酸乙酯?
The molecular formula of 3-苯基丙烯-2-酸乙酯 is C11H12O2.
What is the molecular weight of 3-苯基丙烯-2-酸乙酯?
The molecular weight of 3-苯基丙烯-2-酸乙酯 is 176.08 g/mol.
Where can I buy 3-苯基丙烯-2-酸乙酯?
You can request a quote for 3-苯基丙烯-2-酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-苯基丙烯-2-酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 3-苯基丙烯-2-酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.