O-Allyl O,O-tert-butylsuccinate
TL;DR: O-Allyl O,O-tert-butylsuccinate (CAS 52345-52-5) is a chemical compound with molecular formula C11H18O5 and molecular weight 230.12 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-oxobutanoate
Also Known As: O-Allyl O,O-tert-butylsuccinate, o-Allyl oo-tert-butylsuccinate, prop-2-enyl 4-tert-butylperoxy-4-oxobutanoate, prop-2-en-1-yl 4-(tert-butylperoxy)-4-oxobutanoate
| Molecular Formula | C11H18O5 |
|---|---|
| Molecular Weight | 230.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 230.11542 |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 52345-52-5 |
|---|---|
| SMILES | CC(C)(C)OOC(=O)CCC(=O)OCC=C |
| InChIKey | QPPROZHNOJODIC-UHFFFAOYSA-N |
Product Overview
O-Allyl O,O-tert-butylsuccinate (CAS 52345-52-5), with molecular formula C11H18O5 and molecular weight 230.12 g/mol. IUPAC: prop-2-enyl 4-tert-butylperoxy-4-oxobutanoate.
Chemical Property Profile of O-Allyl O,O-tert-butylsuccinate
Property Insights of O-Allyl O,O-tert-butylsuccinate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-Allyl O,O-tert-butylsuccinate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Allyl O,O-tert-butylsuccinate. Following Lipinski's Rule of Five, O-Allyl O,O-tert-butylsuccinate 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 O,O-tert-butylsuccinate?
The CAS number of O-Allyl O,O-tert-butylsuccinate is 52345-52-5.
What is the molecular formula of O-Allyl O,O-tert-butylsuccinate?
The molecular formula of O-Allyl O,O-tert-butylsuccinate is C11H18O5.
What is the molecular weight of O-Allyl O,O-tert-butylsuccinate?
The molecular weight of O-Allyl O,O-tert-butylsuccinate is 230.12 g/mol.
Where can I buy O-Allyl O,O-tert-butylsuccinate?
You can request a quote for O-Allyl O,O-tert-butylsuccinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Allyl O,O-tert-butylsuccinate?
Yes, KEHONG BIO provides custom synthesis services for O-Allyl O,O-tert-butylsuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.