Ethyl 4-ethoxybenzoate
TL;DR: Ethyl 4-ethoxybenzoate (CAS 23676-09-7) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-ethoxybenzoate
Also Known As: Ethyl 4-ethoxybenzoate, Benzoic acid, 4-ethoxy-, ethyl ester, 4-Ethoxy ethylbenzoate, 4-Ethoxybenzoic Acid Ethyl Ester, Ethyl 4-etoxybenzoate
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.0943 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.0943 Da |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
| SMILES | CCOC1=CC=C(C=C1)C(=O)OCC |
| InChIKey | HRAQMGWTPNOILP-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-ethoxybenzoate
Property Insights of Ethyl 4-ethoxybenzoate
The XLogP value of 3.2 indicates that Ethyl 4-ethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Ethyl 4-ethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-ethoxybenzoate 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
What is the CAS number of Ethyl 4-ethoxybenzoate?
The CAS number of Ethyl 4-ethoxybenzoate is 23676-09-7.
What is the molecular formula of Ethyl 4-ethoxybenzoate?
The molecular formula of Ethyl 4-ethoxybenzoate is C11H14O3.
What is the molecular weight of Ethyl 4-ethoxybenzoate?
The molecular weight of Ethyl 4-ethoxybenzoate is 194.0943 g/mol.
Where can I buy Ethyl 4-ethoxybenzoate?
You can request a quote for Ethyl 4-ethoxybenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-ethoxybenzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-ethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.