Benzoic acid, 2-ethoxy-, ethyl ester
TL;DR: Benzoic acid, 2-ethoxy-, ethyl ester (CAS 75333-22-1) 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 2-ethoxybenzoate
Also Known As: Ethyl 2-ethoxybenzoate, 2-Ethoxybenzoic Acid Ethyl Ester, DMSS, ethyl2-ethoxybenzoate, ethyl o-ethoxybenzoate
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 75333-22-1 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C(=O)OCC |
| InChIKey | OUZCDRGUTZLAGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2-ethoxy-, ethyl ester (CAS 75333-22-1), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: ethyl 2-ethoxybenzoate.
Chemical Property Profile of Benzoic acid, 2-ethoxy-, ethyl ester
Property Insights of Benzoic acid, 2-ethoxy-, ethyl ester
The XLogP value of 3.1 indicates that Benzoic acid, 2-ethoxy-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Benzoic acid, 2-ethoxy-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-ethoxy-, ethyl ester 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 Benzoic acid, 2-ethoxy-, ethyl ester?
The CAS number of Benzoic acid, 2-ethoxy-, ethyl ester is 75333-22-1.
What is the molecular formula of Benzoic acid, 2-ethoxy-, ethyl ester?
The molecular formula of Benzoic acid, 2-ethoxy-, ethyl ester is C11H14O3.
What is the molecular weight of Benzoic acid, 2-ethoxy-, ethyl ester?
The molecular weight of Benzoic acid, 2-ethoxy-, ethyl ester is 194.09 g/mol.
Where can I buy Benzoic acid, 2-ethoxy-, ethyl ester?
You can request a quote for Benzoic acid, 2-ethoxy-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-ethoxy-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-ethoxy-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.