1,1-Dimethyl-1-methyl-1-((4-methylethyl)phenyl)ethyl peroxide
TL;DR: 1,1-Dimethyl-1-methyl-1-((4-methylethyl)phenyl)ethyl peroxide (CAS 52031-72-8) is a chemical compound with molecular formula C16H26O2 and molecular weight 250.19 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-propan-2-ylbenzene
Also Known As: J1.568.802E, 1,1-Dimethyl-1-methyl-1-((4-methylethyl)phenyl)ethyl peroxide, 1,1-Dimethyl-1-methyl-1-[(4-methylethyl)phenyl]ethyl peroxide, 1-(2-tert-butylperoxypropan-2-yl)-4-propan-2-ylbenzene, 1-[2-(tert-butylperoxy)propan-2-yl]-4-(propan-2-yl)benzene
| Molecular Formula | C16H26O2 |
|---|---|
| Molecular Weight | 250.19 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.19328 |
| Heavy Atoms | 18 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 52031-72-8 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(C)(C)OOC(C)(C)C |
| InChIKey | QGABUHGYHVKOCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1-Dimethyl-1-methyl-1-((4-methylethyl)phenyl)ethyl peroxide (CAS 52031-72-8), with molecular formula C16H26O2 and molecular weight 250.19 g/mol. IUPAC: 1-(2-tert-butylperoxypropan-2-yl)-4-propan-2-ylbenzene.
Chemical Property Profile of 1,1-Dimethyl-1-methyl-1-((4-methylethyl)phenyl)ethyl peroxide
Property Insights of 1,1-Dimethyl-1-methyl-1-((4-methylethyl)phenyl)ethyl peroxide
The XLogP value of 4.3 indicates that 1,1-Dimethyl-1-methyl-1-((4-methylethyl)phenyl)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, 1,1-Dimethyl-1-methyl-1-((4-methylethyl)phenyl)ethyl peroxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethyl-1-methyl-1-((4-methylethyl)phenyl)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 1,1-Dimethyl-1-methyl-1-((4-methylethyl)phenyl)ethyl peroxide?
The CAS number of 1,1-Dimethyl-1-methyl-1-((4-methylethyl)phenyl)ethyl peroxide is 52031-72-8.
What is the molecular formula of 1,1-Dimethyl-1-methyl-1-((4-methylethyl)phenyl)ethyl peroxide?
The molecular formula of 1,1-Dimethyl-1-methyl-1-((4-methylethyl)phenyl)ethyl peroxide is C16H26O2.
What is the molecular weight of 1,1-Dimethyl-1-methyl-1-((4-methylethyl)phenyl)ethyl peroxide?
The molecular weight of 1,1-Dimethyl-1-methyl-1-((4-methylethyl)phenyl)ethyl peroxide is 250.19 g/mol.
Where can I buy 1,1-Dimethyl-1-methyl-1-((4-methylethyl)phenyl)ethyl peroxide?
You can request a quote for 1,1-Dimethyl-1-methyl-1-((4-methylethyl)phenyl)ethyl peroxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethyl-1-methyl-1-((4-methylethyl)phenyl)ethyl peroxide?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethyl-1-methyl-1-((4-methylethyl)phenyl)ethyl peroxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.