Ethyl 3-phenoxypropionate
TL;DR: Ethyl 3-phenoxypropionate (CAS 22409-91-2) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-phenoxypropanoate
Also Known As: ethyl 3-phenoxypropanoate, Ethyl 3-phenoxypropionate, ethyl3-phenoxypropanoate, Propanoic acid, 3-phenoxy-ethyl ester, 3-phenoxypropanoic acid ethyl ester
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 22409-91-2 |
|---|---|
| SMILES | CCOC(=O)CCOC1=CC=CC=C1 |
| InChIKey | TXKJOPXGYSFUNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-phenoxypropionate (CAS 22409-91-2), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: ethyl 3-phenoxypropanoate.
Chemical Property Profile of Ethyl 3-phenoxypropionate
Property Insights of Ethyl 3-phenoxypropionate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-phenoxypropionate. With a topological polar surface area (TPSA) of 35.5 Ų, Ethyl 3-phenoxypropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-phenoxypropionate 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-phenoxypropionate?
The CAS number of Ethyl 3-phenoxypropionate is 22409-91-2.
What is the molecular formula of Ethyl 3-phenoxypropionate?
The molecular formula of Ethyl 3-phenoxypropionate is C11H14O3.
What is the molecular weight of Ethyl 3-phenoxypropionate?
The molecular weight of Ethyl 3-phenoxypropionate is 194.09 g/mol.
Where can I buy Ethyl 3-phenoxypropionate?
You can request a quote for Ethyl 3-phenoxypropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-phenoxypropionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-phenoxypropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.