2,6-Bis(1,1-dimethylethyl)-4-hydroperoxy-4-methyl-2,5-cyclohexadien-1-one
TL;DR: 2,6-Bis(1,1-dimethylethyl)-4-hydroperoxy-4-methyl-2,5-cyclohexadien-1-one (CAS 6485-57-0) is a chemical compound with molecular formula C15H24O3 and molecular weight 252.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-hydroperoxy-4-methylcyclohexa-2,5-dien-1-one
Also Known As: BHT-OOH, Triisopropylsilane, BHTOOH, Propofol impurity 62, 2,6-Di-tert-butyl-4-hydroperoxy-4-methyl-2,5-cyclohexadienone
| Molecular Formula | C15H24O3 |
|---|---|
| Molecular Weight | 252.17 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.17255 |
| Heavy Atoms | 18 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 6485-57-0 |
|---|---|
| SMILES | CC1(C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)OO |
| InChIKey | FNLSGYWVCGOYGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Bis(1,1-dimethylethyl)-4-hydroperoxy-4-methyl-2,5-cyclohexadien-1-one (CAS 6485-57-0), with molecular formula C15H24O3 and molecular weight 252.17 g/mol. IUPAC: 2,6-ditert-butyl-4-hydroperoxy-4-methylcyclohexa-2,5-dien-1-one.
Chemical Property Profile of 2,6-Bis(1,1-dimethylethyl)-4-hydroperoxy-4-methyl-2,5-cyclohexadien-1-one
Property Insights of 2,6-Bis(1,1-dimethylethyl)-4-hydroperoxy-4-methyl-2,5-cyclohexadien-1-one
The XLogP value of 3.6 indicates that 2,6-Bis(1,1-dimethylethyl)-4-hydroperoxy-4-methyl-2,5-cyclohexadien-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 2,6-Bis(1,1-dimethylethyl)-4-hydroperoxy-4-methyl-2,5-cyclohexadien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Bis(1,1-dimethylethyl)-4-hydroperoxy-4-methyl-2,5-cyclohexadien-1-one has 1 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 2,6-Bis(1,1-dimethylethyl)-4-hydroperoxy-4-methyl-2,5-cyclohexadien-1-one?
The CAS number of 2,6-Bis(1,1-dimethylethyl)-4-hydroperoxy-4-methyl-2,5-cyclohexadien-1-one is 6485-57-0.
What is the molecular formula of 2,6-Bis(1,1-dimethylethyl)-4-hydroperoxy-4-methyl-2,5-cyclohexadien-1-one?
The molecular formula of 2,6-Bis(1,1-dimethylethyl)-4-hydroperoxy-4-methyl-2,5-cyclohexadien-1-one is C15H24O3.
What is the molecular weight of 2,6-Bis(1,1-dimethylethyl)-4-hydroperoxy-4-methyl-2,5-cyclohexadien-1-one?
The molecular weight of 2,6-Bis(1,1-dimethylethyl)-4-hydroperoxy-4-methyl-2,5-cyclohexadien-1-one is 252.17 g/mol.
Where can I buy 2,6-Bis(1,1-dimethylethyl)-4-hydroperoxy-4-methyl-2,5-cyclohexadien-1-one?
You can request a quote for 2,6-Bis(1,1-dimethylethyl)-4-hydroperoxy-4-methyl-2,5-cyclohexadien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Bis(1,1-dimethylethyl)-4-hydroperoxy-4-methyl-2,5-cyclohexadien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Bis(1,1-dimethylethyl)-4-hydroperoxy-4-methyl-2,5-cyclohexadien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.