tert-Butyl peroxyisobutyrate
TL;DR: tert-Butyl peroxyisobutyrate (CAS 109-13-7) is a chemical compound with molecular formula C8H16O3 and molecular weight 160.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-methylpropaneperoxoate
Also Known As: tert-Butyl peroxyisobutyrate, lupersol 8, tert-butyl 2-methylpropaneperoxoate, esperox 24m, TBPI
| Molecular Formula | C8H16O3 |
|---|---|
| Molecular Weight | 160.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 160.10994 |
| Heavy Atoms | 11 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 109-13-7 |
|---|---|
| SMILES | CC(C)C(=O)OOC(C)(C)C |
| InChIKey | PFBLRDXPNUJYJM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyl peroxyisobutyrate (CAS 109-13-7), with molecular formula C8H16O3 and molecular weight 160.11 g/mol. IUPAC: tert-butyl 2-methylpropaneperoxoate.
Chemical Property Profile of tert-Butyl peroxyisobutyrate
Property Insights of tert-Butyl peroxyisobutyrate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl peroxyisobutyrate. With a topological polar surface area (TPSA) of 35.5 Ų, tert-Butyl peroxyisobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl peroxyisobutyrate has 0 hydrogen bond donor(s) and 3 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 tert-Butyl peroxyisobutyrate?
The CAS number of tert-Butyl peroxyisobutyrate is 109-13-7.
What is the molecular formula of tert-Butyl peroxyisobutyrate?
The molecular formula of tert-Butyl peroxyisobutyrate is C8H16O3.
What is the molecular weight of tert-Butyl peroxyisobutyrate?
The molecular weight of tert-Butyl peroxyisobutyrate is 160.11 g/mol.
Where can I buy tert-Butyl peroxyisobutyrate?
You can request a quote for tert-Butyl peroxyisobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl peroxyisobutyrate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl peroxyisobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.