2-Ethoxyethyl phenylacetate
TL;DR: 2-Ethoxyethyl phenylacetate (CAS 6989-70-4) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxyethyl 2-phenylacetate
Also Known As: 2-ethoxyethyl phenylacetate, 2-ethoxyethyl 2-phenylacetate, Benzeneacetic acid 2-ethoxyethyl ester, Phenylacetic acid, 2-ethoxyethyl ester, RefChem:260398
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 6989-70-4 |
|---|---|
| SMILES | CCOCCOC(=O)CC1=CC=CC=C1 |
| InChIKey | KMPFAFQBQPRZSB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethoxyethyl phenylacetate (CAS 6989-70-4), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 2-ethoxyethyl 2-phenylacetate.
Chemical Property Profile of 2-Ethoxyethyl phenylacetate
Property Insights of 2-Ethoxyethyl phenylacetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethoxyethyl phenylacetate. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Ethoxyethyl phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethoxyethyl phenylacetate 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 phenylacetate?
The CAS number of 2-Ethoxyethyl phenylacetate is 6989-70-4.
What is the molecular formula of 2-Ethoxyethyl phenylacetate?
The molecular formula of 2-Ethoxyethyl phenylacetate is C12H16O3.
What is the molecular weight of 2-Ethoxyethyl phenylacetate?
The molecular weight of 2-Ethoxyethyl phenylacetate is 208.11 g/mol.
Where can I buy 2-Ethoxyethyl phenylacetate?
You can request a quote for 2-Ethoxyethyl phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethoxyethyl phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethoxyethyl phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.