Prop-2-enyl 4-tert-butylperoxy-4-oxobut-2-enoate
TL;DR: Prop-2-enyl 4-tert-butylperoxy-4-oxobut-2-enoate (CAS 52345-51-4) is a chemical compound with molecular formula C11H16O5 and molecular weight 228.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 4-tert-butylperoxy-4-oxobut-2-enoate
Also Known As: O-Allyl OO-tert-butylperfumarate
| Molecular Formula | C11H16O5 |
|---|---|
| Molecular Weight | 228.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 228.09978 |
| Heavy Atoms | 16 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 52345-51-4 |
|---|---|
| SMILES | CC(C)(C)OOC(=O)C=CC(=O)OCC=C |
| InChIKey | ZPVRKKIWIZMFSM-UHFFFAOYSA-N |
Product Overview
Prop-2-enyl 4-tert-butylperoxy-4-oxobut-2-enoate (CAS 52345-51-4), with molecular formula C11H16O5 and molecular weight 228.10 g/mol. IUPAC: prop-2-enyl 4-tert-butylperoxy-4-oxobut-2-enoate.
Chemical Property Profile of Prop-2-enyl 4-tert-butylperoxy-4-oxobut-2-enoate
Property Insights of Prop-2-enyl 4-tert-butylperoxy-4-oxobut-2-enoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prop-2-enyl 4-tert-butylperoxy-4-oxobut-2-enoate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Prop-2-enyl 4-tert-butylperoxy-4-oxobut-2-enoate. Following Lipinski's Rule of Five, Prop-2-enyl 4-tert-butylperoxy-4-oxobut-2-enoate has 0 hydrogen bond donor(s) and 5 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 Prop-2-enyl 4-tert-butylperoxy-4-oxobut-2-enoate?
The CAS number of Prop-2-enyl 4-tert-butylperoxy-4-oxobut-2-enoate is 52345-51-4.
What is the molecular formula of Prop-2-enyl 4-tert-butylperoxy-4-oxobut-2-enoate?
The molecular formula of Prop-2-enyl 4-tert-butylperoxy-4-oxobut-2-enoate is C11H16O5.
What is the molecular weight of Prop-2-enyl 4-tert-butylperoxy-4-oxobut-2-enoate?
The molecular weight of Prop-2-enyl 4-tert-butylperoxy-4-oxobut-2-enoate is 228.10 g/mol.
Where can I buy Prop-2-enyl 4-tert-butylperoxy-4-oxobut-2-enoate?
You can request a quote for Prop-2-enyl 4-tert-butylperoxy-4-oxobut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prop-2-enyl 4-tert-butylperoxy-4-oxobut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Prop-2-enyl 4-tert-butylperoxy-4-oxobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.