![2-{2-[(2,2-Dimethylpropanoyl)oxy]ethoxy}ethyl benzoate structure](/static/products/5986/59863-48-8.webp)
2-{2-[(2,2-Dimethylpropanoyl)oxy]ethoxy}ethyl benzoate
TL;DR: 2-{2-[(2,2-Dimethylpropanoyl)oxy]ethoxy}ethyl benzoate (CAS 59863-48-8) is a chemical compound with molecular formula C16H22O5 and molecular weight 294.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethyl benzoate
Also Known As: 2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethyl benzoate, 2-{2-[(2,2-Dimethylpropanoyl)oxy]ethoxy}ethyl benzoate
| Molecular Formula | C16H22O5 |
|---|---|
| Molecular Weight | 294.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 294.14673 |
| Heavy Atoms | 21 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 59863-48-8 |
|---|---|
| SMILES | CC(C)(C)C(=O)OCCOCCOC(=O)C1=CC=CC=C1 |
| InChIKey | NOYBVIRCNUXLIF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-{2-[(2,2-Dimethylpropanoyl)oxy]ethoxy}ethyl benzoate (CAS 59863-48-8), with molecular formula C16H22O5 and molecular weight 294.15 g/mol. IUPAC: 2-[2-(2,2-dimethylpropanoyloxy)ethoxy]ethyl benzoate.
Chemical Property Profile of 2-{2-[(2,2-Dimethylpropanoyl)oxy]ethoxy}ethyl benzoate
Property Insights of 2-{2-[(2,2-Dimethylpropanoyl)oxy]ethoxy}ethyl benzoate
The XLogP value of 3.1 indicates that 2-{2-[(2,2-Dimethylpropanoyl)oxy]ethoxy}ethyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{2-[(2,2-Dimethylpropanoyl)oxy]ethoxy}ethyl benzoate. Following Lipinski's Rule of Five, 2-{2-[(2,2-Dimethylpropanoyl)oxy]ethoxy}ethyl benzoate has 0 hydrogen bond donor(s) and 5 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-{2-[(2,2-Dimethylpropanoyl)oxy]ethoxy}ethyl benzoate?
The CAS number of 2-{2-[(2,2-Dimethylpropanoyl)oxy]ethoxy}ethyl benzoate is 59863-48-8.
What is the molecular formula of 2-{2-[(2,2-Dimethylpropanoyl)oxy]ethoxy}ethyl benzoate?
The molecular formula of 2-{2-[(2,2-Dimethylpropanoyl)oxy]ethoxy}ethyl benzoate is C16H22O5.
What is the molecular weight of 2-{2-[(2,2-Dimethylpropanoyl)oxy]ethoxy}ethyl benzoate?
The molecular weight of 2-{2-[(2,2-Dimethylpropanoyl)oxy]ethoxy}ethyl benzoate is 294.15 g/mol.
Where can I buy 2-{2-[(2,2-Dimethylpropanoyl)oxy]ethoxy}ethyl benzoate?
You can request a quote for 2-{2-[(2,2-Dimethylpropanoyl)oxy]ethoxy}ethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{2-[(2,2-Dimethylpropanoyl)oxy]ethoxy}ethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-{2-[(2,2-Dimethylpropanoyl)oxy]ethoxy}ethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.