Ethanol, 2-(2-phenoxyethoxy)-, 1-benzoate
TL;DR: Ethanol, 2-(2-phenoxyethoxy)-, 1-benzoate (CAS 67845-81-2) is a chemical compound with molecular formula C17H18O4 and molecular weight 286.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-phenoxyethoxy)ethyl benzoate
Also Known As: 2-(2-Phenoxyethoxy)ethyl benzoate, 2-(2-phenoxyethoxy)ethylbenzoate, Ethanol, 2-(2-phenoxyethoxy)-, benzoate, Ethanol, 2-(2-phenoxyethoxy)-, 1-benzoate, diethylene glycol phenyl ether benzoate
| Molecular Formula | C17H18O4 |
|---|---|
| Molecular Weight | 286.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 286.1205 |
| Heavy Atoms | 21 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 67845-81-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCOCCOC2=CC=CC=C2 |
| InChIKey | TZHGOJUYMUTMTF-UHFFFAOYSA-N |
Product Overview
Ethanol, 2-(2-phenoxyethoxy)-, 1-benzoate (CAS 67845-81-2), with molecular formula C17H18O4 and molecular weight 286.12 g/mol. IUPAC: 2-(2-phenoxyethoxy)ethyl benzoate.
Chemical Property Profile of Ethanol, 2-(2-phenoxyethoxy)-, 1-benzoate
Property Insights of Ethanol, 2-(2-phenoxyethoxy)-, 1-benzoate
The XLogP value of 3.5 indicates that Ethanol, 2-(2-phenoxyethoxy)-, 1-benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Ethanol, 2-(2-phenoxyethoxy)-, 1-benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanol, 2-(2-phenoxyethoxy)-, 1-benzoate has 0 hydrogen bond donor(s) and 4 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 Ethanol, 2-(2-phenoxyethoxy)-, 1-benzoate?
The CAS number of Ethanol, 2-(2-phenoxyethoxy)-, 1-benzoate is 67845-81-2.
What is the molecular formula of Ethanol, 2-(2-phenoxyethoxy)-, 1-benzoate?
The molecular formula of Ethanol, 2-(2-phenoxyethoxy)-, 1-benzoate is C17H18O4.
What is the molecular weight of Ethanol, 2-(2-phenoxyethoxy)-, 1-benzoate?
The molecular weight of Ethanol, 2-(2-phenoxyethoxy)-, 1-benzoate is 286.12 g/mol.
Where can I buy Ethanol, 2-(2-phenoxyethoxy)-, 1-benzoate?
You can request a quote for Ethanol, 2-(2-phenoxyethoxy)-, 1-benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 2-(2-phenoxyethoxy)-, 1-benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 2-(2-phenoxyethoxy)-, 1-benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.