2,6-Di-tert-butyl-4-methyl-4-tert-butylperoxy-2,5-cyclohexadienone
TL;DR: 2,6-Di-tert-butyl-4-methyl-4-tert-butylperoxy-2,5-cyclohexadienone (CAS 13154-57-9) is a chemical compound with molecular formula C19H32O3 and molecular weight 308.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-tert-butylperoxy-4-methylcyclohexa-2,5-dien-1-one
Also Known As: 2,6-Di-tert-butyl-4-methyl-4-tert-butylperoxy-2,5-cyclohexadienone, 2,6-ditert-butyl-4-tert-butylperoxy-4-methylcyclohexa-2,5-dien-1-one, 2,6-di(t-butyl)-4-t-butylperoxy-4-methylcyclohexa-2,5-dienone, 2,6-DI-TERT-BUTYL-4-(TERT-BUTYLPEROXY)-4-METHYLCYCLOHEXA-2,5-DIEN-1-ONE, 2,6-Di-tert-butyl-4-methyl-4-tert-butylperoxybenzene-1(4H)-one
| Molecular Formula | C19H32O3 |
|---|---|
| Molecular Weight | 308.24 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.23514 |
| Heavy Atoms | 22 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 13154-57-9 |
|---|---|
| SMILES | CC1(C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)OOC(C)(C)C |
| InChIKey | ZWNSJLOCNGQCRD-UHFFFAOYSA-N |
Product Overview
2,6-Di-tert-butyl-4-methyl-4-tert-butylperoxy-2,5-cyclohexadienone (CAS 13154-57-9), with molecular formula C19H32O3 and molecular weight 308.24 g/mol. IUPAC: 2,6-ditert-butyl-4-tert-butylperoxy-4-methylcyclohexa-2,5-dien-1-one.
Chemical Property Profile of 2,6-Di-tert-butyl-4-methyl-4-tert-butylperoxy-2,5-cyclohexadienone
Property Insights of 2,6-Di-tert-butyl-4-methyl-4-tert-butylperoxy-2,5-cyclohexadienone
The XLogP value of 5.1 indicates that 2,6-Di-tert-butyl-4-methyl-4-tert-butylperoxy-2,5-cyclohexadienone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2,6-Di-tert-butyl-4-methyl-4-tert-butylperoxy-2,5-cyclohexadienone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Di-tert-butyl-4-methyl-4-tert-butylperoxy-2,5-cyclohexadienone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,6-Di-tert-butyl-4-methyl-4-tert-butylperoxy-2,5-cyclohexadienone?
The CAS number of 2,6-Di-tert-butyl-4-methyl-4-tert-butylperoxy-2,5-cyclohexadienone is 13154-57-9.
What is the molecular formula of 2,6-Di-tert-butyl-4-methyl-4-tert-butylperoxy-2,5-cyclohexadienone?
The molecular formula of 2,6-Di-tert-butyl-4-methyl-4-tert-butylperoxy-2,5-cyclohexadienone is C19H32O3.
What is the molecular weight of 2,6-Di-tert-butyl-4-methyl-4-tert-butylperoxy-2,5-cyclohexadienone?
The molecular weight of 2,6-Di-tert-butyl-4-methyl-4-tert-butylperoxy-2,5-cyclohexadienone is 308.24 g/mol.
Where can I buy 2,6-Di-tert-butyl-4-methyl-4-tert-butylperoxy-2,5-cyclohexadienone?
You can request a quote for 2,6-Di-tert-butyl-4-methyl-4-tert-butylperoxy-2,5-cyclohexadienone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Di-tert-butyl-4-methyl-4-tert-butylperoxy-2,5-cyclohexadienone?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Di-tert-butyl-4-methyl-4-tert-butylperoxy-2,5-cyclohexadienone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.