Tert-butyl 4-(3-ethoxy-3-oxopropyl)benzoate
TL;DR: Tert-butyl 4-(3-ethoxy-3-oxopropyl)benzoate (CAS 126931-31-5) is a chemical compound with molecular formula C16H22O4 and molecular weight 278.1518 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 4-(3-ethoxy-3-oxopropyl)benzoate
Also Known As: tert-butyl 4-(3-ethoxy-3-oxopropyl)benzoate, Tert-butyl 4-(2-ethoxycarbonylethyl)benzoate, 3-(4-tert-butyloxycarbonylphenyl)propionic acid ethyl ester
Technical Specifications
| Molecular Formula | C16H22O4 |
| Molecular Weight | 278.1518 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 278.1518 Da |
| Heavy Atoms | 20 |
| Complexity | 322.0 |
| SMILES | CCOC(=O)CCC1=CC=C(C=C1)C(=O)OC(C)(C)C |
| InChIKey | HALAIVCELHMZNX-UHFFFAOYSA-N |
Chemical Property Profile of Tert-butyl 4-(3-ethoxy-3-oxopropyl)benzoate
Property Insights of Tert-butyl 4-(3-ethoxy-3-oxopropyl)benzoate
The XLogP value of 3.2 indicates that Tert-butyl 4-(3-ethoxy-3-oxopropyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Tert-butyl 4-(3-ethoxy-3-oxopropyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 4-(3-ethoxy-3-oxopropyl)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
What is the CAS number of Tert-butyl 4-(3-ethoxy-3-oxopropyl)benzoate?
The CAS number of Tert-butyl 4-(3-ethoxy-3-oxopropyl)benzoate is 126931-31-5.
What is the molecular formula of Tert-butyl 4-(3-ethoxy-3-oxopropyl)benzoate?
The molecular formula of Tert-butyl 4-(3-ethoxy-3-oxopropyl)benzoate is C16H22O4.
What is the molecular weight of Tert-butyl 4-(3-ethoxy-3-oxopropyl)benzoate?
The molecular weight of Tert-butyl 4-(3-ethoxy-3-oxopropyl)benzoate is 278.1518 g/mol.
Where can I buy Tert-butyl 4-(3-ethoxy-3-oxopropyl)benzoate?
You can request a quote for Tert-butyl 4-(3-ethoxy-3-oxopropyl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tert-butyl 4-(3-ethoxy-3-oxopropyl)benzoate?
Yes, CoreyChem provides custom synthesis services for Tert-butyl 4-(3-ethoxy-3-oxopropyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.