p-tert-Butylcumene hydroperoxide
TL;DR: p-tert-Butylcumene hydroperoxide (CAS 6946-34-5) 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.
1-tert-butyl-4-(2-hydroperoxypropan-2-yl)benzene
Also Known As: p-tert-Butylcumene hydroperoxide, 1-tert-butyl-4-(2-hydroperoxypropan-2-yl)benzene, 4-TERT-BUTYLCUMENEHYDROPEROXIDE, 2-(4-tert-Butylphenyl)propane-2-peroxol, hydroperoxide, p-tert-butyl-
| Molecular Formula | C13H20O2 |
|---|---|
| Molecular Weight | 208.15 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.14633 |
| Heavy Atoms | 15 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 6946-34-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(C)(C)OO |
| InChIKey | HSYSVFXBQIIBBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-tert-Butylcumene hydroperoxide (CAS 6946-34-5), with molecular formula C13H20O2 and molecular weight 208.15 g/mol. IUPAC: 1-tert-butyl-4-(2-hydroperoxypropan-2-yl)benzene.
Chemical Property Profile of p-tert-Butylcumene hydroperoxide
Property Insights of p-tert-Butylcumene hydroperoxide
The XLogP value of 3.3 indicates that p-tert-Butylcumene hydroperoxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, p-tert-Butylcumene hydroperoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-tert-Butylcumene hydroperoxide has 1 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 p-tert-Butylcumene hydroperoxide?
The CAS number of p-tert-Butylcumene hydroperoxide is 6946-34-5.
What is the molecular formula of p-tert-Butylcumene hydroperoxide?
The molecular formula of p-tert-Butylcumene hydroperoxide is C13H20O2.
What is the molecular weight of p-tert-Butylcumene hydroperoxide?
The molecular weight of p-tert-Butylcumene hydroperoxide is 208.15 g/mol.
Where can I buy p-tert-Butylcumene hydroperoxide?
You can request a quote for p-tert-Butylcumene hydroperoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-tert-Butylcumene hydroperoxide?
Yes, KEHONG BIO provides custom synthesis services for p-tert-Butylcumene hydroperoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.