2,5-Bis(tert-butylperoxy)-2,5-dimethyl-3-hexyne
TL;DR: 2,5-Bis(tert-butylperoxy)-2,5-dimethyl-3-hexyne (CAS 1068-27-5) is a chemical compound with molecular formula C16H30O4 and molecular weight 286.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-yne
Also Known As: Lupersol 130, Trigonox 145, Luperco 130XL, Luperox 130, varox 130-xl
| Molecular Formula | C16H30O4 |
|---|---|
| Molecular Weight | 286.21 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 286.21442 |
| Heavy Atoms | 20 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 1068-27-5 |
|---|---|
| SMILES | CC(C)(C)OOC(C)(C)C#CC(C)(C)OOC(C)(C)C |
| InChIKey | ODBCKCWTWALFKM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Bis(tert-butylperoxy)-2,5-dimethyl-3-hexyne (CAS 1068-27-5), with molecular formula C16H30O4 and molecular weight 286.21 g/mol. IUPAC: 2,5-bis(tert-butylperoxy)-2,5-dimethylhex-3-yne.
Chemical Property Profile of 2,5-Bis(tert-butylperoxy)-2,5-dimethyl-3-hexyne
Property Insights of 2,5-Bis(tert-butylperoxy)-2,5-dimethyl-3-hexyne
The XLogP value of 3.2 indicates that 2,5-Bis(tert-butylperoxy)-2,5-dimethyl-3-hexyne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.9 Ų, 2,5-Bis(tert-butylperoxy)-2,5-dimethyl-3-hexyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Bis(tert-butylperoxy)-2,5-dimethyl-3-hexyne has 0 hydrogen bond donor(s) and 4 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 2,5-Bis(tert-butylperoxy)-2,5-dimethyl-3-hexyne?
The CAS number of 2,5-Bis(tert-butylperoxy)-2,5-dimethyl-3-hexyne is 1068-27-5.
What is the molecular formula of 2,5-Bis(tert-butylperoxy)-2,5-dimethyl-3-hexyne?
The molecular formula of 2,5-Bis(tert-butylperoxy)-2,5-dimethyl-3-hexyne is C16H30O4.
What is the molecular weight of 2,5-Bis(tert-butylperoxy)-2,5-dimethyl-3-hexyne?
The molecular weight of 2,5-Bis(tert-butylperoxy)-2,5-dimethyl-3-hexyne is 286.21 g/mol.
Where can I buy 2,5-Bis(tert-butylperoxy)-2,5-dimethyl-3-hexyne?
You can request a quote for 2,5-Bis(tert-butylperoxy)-2,5-dimethyl-3-hexyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Bis(tert-butylperoxy)-2,5-dimethyl-3-hexyne?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Bis(tert-butylperoxy)-2,5-dimethyl-3-hexyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.