tert-Butyl peroctoate
TL;DR: tert-Butyl peroctoate (CAS 13467-82-8) is a chemical compound with molecular formula C12H24O3 and molecular weight 216.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl octaneperoxoate
Also Known As: tert-Butyl peroctoate, Kayaester O, tert-Butyl octaneperoxoate, Kayaester O 50, tert-Butyl percaprylate
| Molecular Formula | C12H24O3 |
|---|---|
| Molecular Weight | 216.17 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 216.17255 |
| Heavy Atoms | 15 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 13467-82-8 |
|---|---|
| SMILES | CCCCCCCC(=O)OOC(C)(C)C |
| InChIKey | BWSZXUOMATYHHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyl peroctoate (CAS 13467-82-8), with molecular formula C12H24O3 and molecular weight 216.17 g/mol. IUPAC: tert-butyl octaneperoxoate.
Chemical Property Profile of tert-Butyl peroctoate
Property Insights of tert-Butyl peroctoate
The XLogP value of 4.1 indicates that tert-Butyl peroctoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, tert-Butyl peroctoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl peroctoate 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 peroctoate?
The CAS number of tert-Butyl peroctoate is 13467-82-8.
What is the molecular formula of tert-Butyl peroctoate?
The molecular formula of tert-Butyl peroctoate is C12H24O3.
What is the molecular weight of tert-Butyl peroctoate?
The molecular weight of tert-Butyl peroctoate is 216.17 g/mol.
Where can I buy tert-Butyl peroctoate?
You can request a quote for tert-Butyl peroctoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl peroctoate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl peroctoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.