Bis(1-oxobutyl)peroxide
TL;DR: Bis(1-oxobutyl)peroxide (CAS 2697-95-2) is a chemical compound with molecular formula CCCC(=O)OOC(=O)CCC and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butanoyl butaneperoxoate
Also Known As: butyryl peroxide, Bis(1-oxobutyl)peroxide, Dibutanoyl peroxide, Dibutyryl peroxide, butanoyl butaneperoxoate
| Molecular Formula | CCCC(=O)OOC(=O)CCC |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 2697-95-2 |
|---|---|
| SMILES | CCCC(=O)OOC(=O)CCC |
| InChIKey | IWTBWSGPDGPTIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(1-oxobutyl)peroxide (CAS 2697-95-2), with molecular formula CCCC(=O)OOC(=O)CCC and molecular weight 174.09 g/mol. IUPAC: butanoyl butaneperoxoate.
Chemical Property Profile of Bis(1-oxobutyl)peroxide
Property Insights of Bis(1-oxobutyl)peroxide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(1-oxobutyl)peroxide. With a topological polar surface area (TPSA) of 52.6 Ų, Bis(1-oxobutyl)peroxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(1-oxobutyl)peroxide 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 Bis(1-oxobutyl)peroxide?
The CAS number of Bis(1-oxobutyl)peroxide is 2697-95-2.
What is the molecular formula of Bis(1-oxobutyl)peroxide?
The molecular formula of Bis(1-oxobutyl)peroxide is CCCC(=O)OOC(=O)CCC.
What is the molecular weight of Bis(1-oxobutyl)peroxide?
The molecular weight of Bis(1-oxobutyl)peroxide is 174.09 g/mol.
Where can I buy Bis(1-oxobutyl)peroxide?
You can request a quote for Bis(1-oxobutyl)peroxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(1-oxobutyl)peroxide?
Yes, KEHONG BIO provides custom synthesis services for Bis(1-oxobutyl)peroxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.