Ethyl 3-phenoxyprop-2-enoate
TL;DR: Ethyl 3-phenoxyprop-2-enoate (CAS 43013-70-3) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-phenoxyprop-2-enoate
Also Known As: ethyl 3-phenoxyprop-2-enoate, ethyl 3-phenoxy-2-propenoate, ethyl (E)-3-phenoxyprop-2-enoate, 3-Phenoxypropenoic acid ethyl ester, 5-Isobenzofurancarboxylic acid,1,3-dihydro-1,3-dioxo-,polymer with 1,2-ethanediol
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 43013-70-3 |
|---|---|
| SMILES | CCOC(=O)C=COC1=CC=CC=C1 |
| InChIKey | JHAFBMLPNYJGAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-phenoxyprop-2-enoate (CAS 43013-70-3), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: ethyl 3-phenoxyprop-2-enoate.
Chemical Property Profile of Ethyl 3-phenoxyprop-2-enoate
Property Insights of Ethyl 3-phenoxyprop-2-enoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-phenoxyprop-2-enoate. With a topological polar surface area (TPSA) of 35.5 Ų, Ethyl 3-phenoxyprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-phenoxyprop-2-enoate has 0 hydrogen bond donor(s) and 3 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-phenoxyprop-2-enoate?
The CAS number of Ethyl 3-phenoxyprop-2-enoate is 43013-70-3.
What is the molecular formula of Ethyl 3-phenoxyprop-2-enoate?
The molecular formula of Ethyl 3-phenoxyprop-2-enoate is C11H12O3.
What is the molecular weight of Ethyl 3-phenoxyprop-2-enoate?
The molecular weight of Ethyl 3-phenoxyprop-2-enoate is 192.08 g/mol.
Where can I buy Ethyl 3-phenoxyprop-2-enoate?
You can request a quote for Ethyl 3-phenoxyprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-phenoxyprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-phenoxyprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.