O-Allyl OO-tert-butylperfumarate
TL;DR: O-Allyl OO-tert-butylperfumarate (CAS 52345-69-4) 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 (E)-4-tert-butylperoxy-4-oxobut-2-enoate
Also Known As: O-Allyl OO-tert-butylperfumarate, prop-2-enyl (E)-4-tert-butylperoxy-4-oxobut-2-enoate, 6-morpholin-4-yl-1H-1,3,5-triazine-2,4-dithione
| Molecular Formula | C11H16O5 |
|---|---|
| Molecular Weight | 228.10 g/mol |
| LogP | 1.5451 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.09978 |
| Heavy Atoms | 16 |
| Complexity | 285.24026 |
Chemical Identifiers
| CAS Number | 52345-69-4 |
|---|---|
| SMILES | CC(C)(C)OOC(=O)/C=C/C(=O)OCC=C |
Product Overview
O-Allyl OO-tert-butylperfumarate (CAS 52345-69-4), with molecular formula C11H16O5 and molecular weight 228.10 g/mol. IUPAC: prop-2-enyl (E)-4-tert-butylperoxy-4-oxobut-2-enoate.
Chemical Property Profile of O-Allyl OO-tert-butylperfumarate
Property Insights of O-Allyl OO-tert-butylperfumarate
The XLogP value of 1.5451 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Allyl OO-tert-butylperfumarate. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Allyl OO-tert-butylperfumarate. Following Lipinski's Rule of Five, O-Allyl OO-tert-butylperfumarate 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 O-Allyl OO-tert-butylperfumarate?
The CAS number of O-Allyl OO-tert-butylperfumarate is 52345-69-4.
What is the molecular formula of O-Allyl OO-tert-butylperfumarate?
The molecular formula of O-Allyl OO-tert-butylperfumarate is C11H16O5.
What is the molecular weight of O-Allyl OO-tert-butylperfumarate?
The molecular weight of O-Allyl OO-tert-butylperfumarate is 228.10 g/mol.
Where can I buy O-Allyl OO-tert-butylperfumarate?
You can request a quote for O-Allyl OO-tert-butylperfumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Allyl OO-tert-butylperfumarate?
Yes, KEHONG BIO provides custom synthesis services for O-Allyl OO-tert-butylperfumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.