Ethyl Cinnamate
TL;DR: Ethyl Cinnamate (CAS 4610-69-9) 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.
ethyl (E)-3-phenylprop-2-enoate
Also Known As: ETHYL CINNAMATE, (E)-ethyl cinnamate, Ethylcinnamate, Ethylcinnamoate, Ethyl 3-phenylacrylate
| 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 |
Chemical Identifiers
| CAS Number | 4610-69-9 |
|---|---|
| SMILES | CCOC(=O)/C=C/C1=CC=CC=C1 |
| InChIKey | KBEBGUQPQBELIU-CMDGGOBGSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl Cinnamate (CAS 4610-69-9), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: ethyl (E)-3-phenylprop-2-enoate.
Chemical Property Profile of Ethyl Cinnamate
Property Insights of Ethyl Cinnamate
The XLogP value of 3.0 indicates that Ethyl Cinnamate 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 Cinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl Cinnamate 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 Cinnamate?
The CAS number of Ethyl Cinnamate is 4610-69-9.
What is the molecular formula of Ethyl Cinnamate?
The molecular formula of Ethyl Cinnamate is C11H12O2.
What is the molecular weight of Ethyl Cinnamate?
The molecular weight of Ethyl Cinnamate is 176.08 g/mol.
Where can I buy Ethyl Cinnamate?
You can request a quote for Ethyl Cinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl Cinnamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl Cinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.