Di-tert-butyl benzene-1,4-dicarboperoxoate
TL;DR: Di-tert-butyl benzene-1,4-dicarboperoxoate (CAS 21578-94-9) is a chemical compound with molecular formula C16H22O6 and molecular weight 310.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ditert-butyl benzene-1,4-dicarboperoxoate
Also Known As: di-tert-butyl benzene-1,4-dicarboperoxoate, t-C4H9OOOCC6H4COOOC4H9-t-4, Bis(1,1-dimethylethyl) dioxyterephthalate, ditert-butyl benzene-1,4-dicarboperoxoate, Diperoxyterephthalic acid di-tert-butyl ester
| Molecular Formula | C16H22O6 |
|---|---|
| Molecular Weight | 310.14 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 310.14163 |
| Heavy Atoms | 22 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 21578-94-9 |
|---|---|
| SMILES | CC(C)(C)OOC(=O)C1=CC=C(C=C1)C(=O)OOC(C)(C)C |
| InChIKey | MEBDAPKZBGYVCA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Di-tert-butyl benzene-1,4-dicarboperoxoate (CAS 21578-94-9), with molecular formula C16H22O6 and molecular weight 310.14 g/mol. IUPAC: ditert-butyl benzene-1,4-dicarboperoxoate.
Chemical Property Profile of Di-tert-butyl benzene-1,4-dicarboperoxoate
Property Insights of Di-tert-butyl benzene-1,4-dicarboperoxoate
The XLogP value of 3.7 indicates that Di-tert-butyl benzene-1,4-dicarboperoxoate 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 benzene-1,4-dicarboperoxoate. Following Lipinski's Rule of Five, Di-tert-butyl benzene-1,4-dicarboperoxoate 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 benzene-1,4-dicarboperoxoate?
The CAS number of Di-tert-butyl benzene-1,4-dicarboperoxoate is 21578-94-9.
What is the molecular formula of Di-tert-butyl benzene-1,4-dicarboperoxoate?
The molecular formula of Di-tert-butyl benzene-1,4-dicarboperoxoate is C16H22O6.
What is the molecular weight of Di-tert-butyl benzene-1,4-dicarboperoxoate?
The molecular weight of Di-tert-butyl benzene-1,4-dicarboperoxoate is 310.14 g/mol.
Where can I buy Di-tert-butyl benzene-1,4-dicarboperoxoate?
You can request a quote for Di-tert-butyl benzene-1,4-dicarboperoxoate 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 benzene-1,4-dicarboperoxoate?
Yes, KEHONG BIO provides custom synthesis services for Di-tert-butyl benzene-1,4-dicarboperoxoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.