Ethyl 4-ethylbenzoate
TL;DR: Ethyl 4-ethylbenzoate (CAS 36207-13-3) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-ethylbenzoate
Also Known As: Ethyl 4-ethylbenzoate, Ethyl4-ethylbenzoate, ethyl p-hydrobenzoate, Methyl 4-ethylbenzoate, Benzoic acid, 4-ethyl-,ethyl ester
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 36207-13-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C(=O)OCC |
| InChIKey | ZPUKPAPWEWUPTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-ethylbenzoate (CAS 36207-13-3), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: ethyl 4-ethylbenzoate.
Chemical Property Profile of Ethyl 4-ethylbenzoate
Property Insights of Ethyl 4-ethylbenzoate
The XLogP value of 3.5 indicates that Ethyl 4-ethylbenzoate 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 4-ethylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-ethylbenzoate 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 4-ethylbenzoate?
The CAS number of Ethyl 4-ethylbenzoate is 36207-13-3.
What is the molecular formula of Ethyl 4-ethylbenzoate?
The molecular formula of Ethyl 4-ethylbenzoate is C11H14O2.
What is the molecular weight of Ethyl 4-ethylbenzoate?
The molecular weight of Ethyl 4-ethylbenzoate is 178.10 g/mol.
Where can I buy Ethyl 4-ethylbenzoate?
You can request a quote for Ethyl 4-ethylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-ethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-ethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.