tert-Butyl peroxyacetate
TL;DR: tert-Butyl peroxyacetate (CAS 107-71-1) is a chemical compound with molecular formula C6H12O3 and molecular weight 132.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl ethaneperoxoate
Also Known As: tert-Butyl peroxyacetate, t-Butyl peracetate, tert-Butyl peracetate, Lupersol 70, t-Butyl peroxyacetate
| Molecular Formula | C6H12O3 |
|---|---|
| Molecular Weight | 132.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 132.07864 |
| Heavy Atoms | 9 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 107-71-1 |
|---|---|
| SMILES | CC(=O)OOC(C)(C)C |
| InChIKey | SWAXTRYEYUTSAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyl peroxyacetate (CAS 107-71-1), with molecular formula C6H12O3 and molecular weight 132.08 g/mol. IUPAC: tert-butyl ethaneperoxoate.
Chemical Property Profile of tert-Butyl peroxyacetate
Property Insights of tert-Butyl peroxyacetate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl peroxyacetate. With a topological polar surface area (TPSA) of 35.5 Ų, tert-Butyl peroxyacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl peroxyacetate 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 tert-Butyl peroxyacetate?
The CAS number of tert-Butyl peroxyacetate is 107-71-1.
What is the molecular formula of tert-Butyl peroxyacetate?
The molecular formula of tert-Butyl peroxyacetate is C6H12O3.
What is the molecular weight of tert-Butyl peroxyacetate?
The molecular weight of tert-Butyl peroxyacetate is 132.08 g/mol.
Where can I buy tert-Butyl peroxyacetate?
You can request a quote for tert-Butyl peroxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl peroxyacetate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl peroxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.