Di-tert-butyl 2,2,4-trimethyldiperoxyadipate
TL;DR: Di-tert-butyl 2,2,4-trimethyldiperoxyadipate (CAS 21850-39-5) is a chemical compound with molecular formula C17H32O6 and molecular weight 332.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ditert-butyl 2,2,4-trimethylhexanediperoxoate
Also Known As: Di-tert-butyl 2,2,4-trimethyldiperoxyadipate, di-tert-butyl 2,2,4-trimethylhexanediperoxoate, ditert-butyl 2,2,4-trimethylhexanediperoxoate, di-tert-butyl2,2,4-trimethyldiperoxyadipate, 1,6-DI-TERT-BUTYL 2,2,4-TRIMETHYLHEXANEDIPEROXOATE
| Molecular Formula | C17H32O6 |
|---|---|
| Molecular Weight | 332.22 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 332.21988 |
| Heavy Atoms | 23 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 21850-39-5 |
|---|---|
| SMILES | CC(CC(=O)OOC(C)(C)C)CC(C)(C)C(=O)OOC(C)(C)C |
| InChIKey | IKOFWYNODUERAF-UHFFFAOYSA-N |
Product Overview
Di-tert-butyl 2,2,4-trimethyldiperoxyadipate (CAS 21850-39-5), with molecular formula C17H32O6 and molecular weight 332.22 g/mol. IUPAC: ditert-butyl 2,2,4-trimethylhexanediperoxoate.
Chemical Property Profile of Di-tert-butyl 2,2,4-trimethyldiperoxyadipate
Property Insights of Di-tert-butyl 2,2,4-trimethyldiperoxyadipate
The XLogP value of 4.0 indicates that Di-tert-butyl 2,2,4-trimethyldiperoxyadipate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Di-tert-butyl 2,2,4-trimethyldiperoxyadipate. Following Lipinski's Rule of Five, Di-tert-butyl 2,2,4-trimethyldiperoxyadipate has 0 hydrogen bond donor(s) and 6 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 Di-tert-butyl 2,2,4-trimethyldiperoxyadipate?
The CAS number of Di-tert-butyl 2,2,4-trimethyldiperoxyadipate is 21850-39-5.
What is the molecular formula of Di-tert-butyl 2,2,4-trimethyldiperoxyadipate?
The molecular formula of Di-tert-butyl 2,2,4-trimethyldiperoxyadipate is C17H32O6.
What is the molecular weight of Di-tert-butyl 2,2,4-trimethyldiperoxyadipate?
The molecular weight of Di-tert-butyl 2,2,4-trimethyldiperoxyadipate is 332.22 g/mol.
Where can I buy Di-tert-butyl 2,2,4-trimethyldiperoxyadipate?
You can request a quote for Di-tert-butyl 2,2,4-trimethyldiperoxyadipate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-tert-butyl 2,2,4-trimethyldiperoxyadipate?
Yes, KEHONG BIO provides custom synthesis services for Di-tert-butyl 2,2,4-trimethyldiperoxyadipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.