2-Ethoxyethyl benzoate
TL;DR: 2-Ethoxyethyl benzoate (CAS 6311-85-9) 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.
2-ethoxyethyl benzoate
Also Known As: 2-Ethoxyethyl benzoate, Benzoic acid 2-ethoxyethyl ester, Cellosolve Benzoate, 2-EthoxyethylBenzoate, 2-Ethoxyethyl=benzoate
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 2.2 |
| 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 | 6311-85-9 |
|---|---|
| SMILES | CCOCCOC(=O)C1=CC=CC=C1 |
| InChIKey | KPHLTQOKDPSIGL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethoxyethyl benzoate (CAS 6311-85-9), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 2-ethoxyethyl benzoate.
Chemical Property Profile of 2-Ethoxyethyl benzoate
Property Insights of 2-Ethoxyethyl benzoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethoxyethyl benzoate. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Ethoxyethyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethoxyethyl benzoate 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 2-Ethoxyethyl benzoate?
The CAS number of 2-Ethoxyethyl benzoate is 6311-85-9.
What is the molecular formula of 2-Ethoxyethyl benzoate?
The molecular formula of 2-Ethoxyethyl benzoate is C11H14O3.
What is the molecular weight of 2-Ethoxyethyl benzoate?
The molecular weight of 2-Ethoxyethyl benzoate is 194.09 g/mol.
Where can I buy 2-Ethoxyethyl benzoate?
You can request a quote for 2-Ethoxyethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethoxyethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethoxyethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.