Tert-butyl cumene peroxide
TL;DR: Tert-butyl cumene peroxide (CAS 3457-61-2) is a chemical compound with molecular formula C13H20O2 and molecular weight 208.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butylperoxypropan-2-ylbenzene
Also Known As: tert-Butyl cumyl peroxide, Kayabutyl C, Trigonox T, t-Butyl cumyl peroxide, Luperco 801-XL
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 3457-61-2 |
|---|---|
| SMILES | CC(C)(C)OOC(C)(C)C1=CC=CC=C1 |
| InChIKey | BIISIZOQPWZPPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tert-butyl cumene peroxide (CAS 3457-61-2), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: 2-tert-butylperoxypropan-2-ylbenzene.
Chemical Property Profile of Tert-butyl cumene peroxide
Property Insights of Tert-butyl cumene peroxide
The XLogP value of 3.2 indicates that Tert-butyl cumene peroxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, Tert-butyl cumene peroxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl cumene peroxide has 0 hydrogen bond donor(s) and 2 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 cumene peroxide?
The CAS number of Tert-butyl cumene peroxide is 3457-61-2.
What is the molecular formula of Tert-butyl cumene peroxide?
The molecular formula of Tert-butyl cumene peroxide is C13H20O2.
What is the molecular weight of Tert-butyl cumene peroxide?
The molecular weight of Tert-butyl cumene peroxide is 208.15 g/mol.
Where can I buy Tert-butyl cumene peroxide?
You can request a quote for Tert-butyl cumene peroxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl cumene peroxide?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl cumene peroxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.