tert-Butyl 1-methyl-1-(4-tolyl)ethyl peroxide
TL;DR: tert-Butyl 1-methyl-1-(4-tolyl)ethyl peroxide (CAS 52031-76-2) is a chemical compound with molecular formula C14H22O2 and molecular weight 222.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-tert-butylperoxypropan-2-yl)-4-methylbenzene
Also Known As: tert-Butyl 1-methyl-1-(4-tolyl)ethyl peroxide, TERT-BUTYL 4-METHYLCUMYL PEROXIDE, 1-(2-tert-butylperoxypropan-2-yl)-4-methylbenzene, tert-butyl 2-(4-methylphenyl)propan-2-yl peroxide, TERT-BUTYL 2-(P-METHYLPHENYL)ISOPROPYL PEROXIDE
| Molecular Formula | C14H22O2 |
|---|---|
| Molecular Weight | 222.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.16199 |
| Heavy Atoms | 16 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 52031-76-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C)(C)OOC(C)(C)C |
| InChIKey | URHPHLGQBBDTGJ-UHFFFAOYSA-N |
Product Overview
tert-Butyl 1-methyl-1-(4-tolyl)ethyl peroxide (CAS 52031-76-2), with molecular formula C14H22O2 and molecular weight 222.16 g/mol. IUPAC: 1-(2-tert-butylperoxypropan-2-yl)-4-methylbenzene.
Chemical Property Profile of tert-Butyl 1-methyl-1-(4-tolyl)ethyl peroxide
Property Insights of tert-Butyl 1-methyl-1-(4-tolyl)ethyl peroxide
The XLogP value of 3.6 indicates that tert-Butyl 1-methyl-1-(4-tolyl)ethyl 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 1-methyl-1-(4-tolyl)ethyl peroxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 1-methyl-1-(4-tolyl)ethyl 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 1-methyl-1-(4-tolyl)ethyl peroxide?
The CAS number of tert-Butyl 1-methyl-1-(4-tolyl)ethyl peroxide is 52031-76-2.
What is the molecular formula of tert-Butyl 1-methyl-1-(4-tolyl)ethyl peroxide?
The molecular formula of tert-Butyl 1-methyl-1-(4-tolyl)ethyl peroxide is C14H22O2.
What is the molecular weight of tert-Butyl 1-methyl-1-(4-tolyl)ethyl peroxide?
The molecular weight of tert-Butyl 1-methyl-1-(4-tolyl)ethyl peroxide is 222.16 g/mol.
Where can I buy tert-Butyl 1-methyl-1-(4-tolyl)ethyl peroxide?
You can request a quote for tert-Butyl 1-methyl-1-(4-tolyl)ethyl 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 1-methyl-1-(4-tolyl)ethyl peroxide?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 1-methyl-1-(4-tolyl)ethyl peroxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.