1,2-Benzenedicarboperoxoic acid, 1,2-bis(1,1-dimethylethyl) ester
TL;DR: 1,2-Benzenedicarboperoxoic acid, 1,2-bis(1,1-dimethylethyl) ester (CAS 2155-71-7) 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-1,2-dicarboperoxoate
Also Known As: Perbutyl MA, Kayaester PH, Di-tert-butyl diperoxyphthalate, Lupersol KDB, Trigonox 111
| Molecular Formula | C16H22O6 |
|---|---|
| Molecular Weight | 310.14 g/mol |
| LogP | 3.6 |
| 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 | 352.0 |
Chemical Identifiers
| CAS Number | 2155-71-7 |
|---|---|
| SMILES | CC(C)(C)OOC(=O)C1=CC=CC=C1C(=O)OOC(C)(C)C |
| InChIKey | QZYRMODBFHTNHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Benzenedicarboperoxoic acid, 1,2-bis(1,1-dimethylethyl) ester (CAS 2155-71-7), with molecular formula C16H22O6 and molecular weight 310.14 g/mol. IUPAC: ditert-butyl benzene-1,2-dicarboperoxoate.
Chemical Property Profile of 1,2-Benzenedicarboperoxoic acid, 1,2-bis(1,1-dimethylethyl) ester
Property Insights of 1,2-Benzenedicarboperoxoic acid, 1,2-bis(1,1-dimethylethyl) ester
The XLogP value of 3.6 indicates that 1,2-Benzenedicarboperoxoic acid, 1,2-bis(1,1-dimethylethyl) ester 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 1,2-Benzenedicarboperoxoic acid, 1,2-bis(1,1-dimethylethyl) ester. Following Lipinski's Rule of Five, 1,2-Benzenedicarboperoxoic acid, 1,2-bis(1,1-dimethylethyl) ester 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 1,2-Benzenedicarboperoxoic acid, 1,2-bis(1,1-dimethylethyl) ester?
The CAS number of 1,2-Benzenedicarboperoxoic acid, 1,2-bis(1,1-dimethylethyl) ester is 2155-71-7.
What is the molecular formula of 1,2-Benzenedicarboperoxoic acid, 1,2-bis(1,1-dimethylethyl) ester?
The molecular formula of 1,2-Benzenedicarboperoxoic acid, 1,2-bis(1,1-dimethylethyl) ester is C16H22O6.
What is the molecular weight of 1,2-Benzenedicarboperoxoic acid, 1,2-bis(1,1-dimethylethyl) ester?
The molecular weight of 1,2-Benzenedicarboperoxoic acid, 1,2-bis(1,1-dimethylethyl) ester is 310.14 g/mol.
Where can I buy 1,2-Benzenedicarboperoxoic acid, 1,2-bis(1,1-dimethylethyl) ester?
You can request a quote for 1,2-Benzenedicarboperoxoic acid, 1,2-bis(1,1-dimethylethyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Benzenedicarboperoxoic acid, 1,2-bis(1,1-dimethylethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Benzenedicarboperoxoic acid, 1,2-bis(1,1-dimethylethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.