Tert-butyl peroxycrotonate
TL;DR: Tert-butyl peroxycrotonate (CAS 23966-70-3) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (E)-but-2-eneperoxoate
Also Known As: tert-Butyl percrotonate, tert-butyl but-2-eneperoxoate, tert-Butyl peroxycrotonate, ESPEROX 13, Peroxycrotonic acid, tert-butyl ester
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 1.8358 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 153.21033 |
Chemical Identifiers
| CAS Number | 23966-70-3 |
|---|---|
| SMILES | C/C=C/C(=O)OOC(C)(C)C |
Product Overview
Tert-butyl peroxycrotonate (CAS 23966-70-3), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: tert-butyl (E)-but-2-eneperoxoate.
Chemical Property Profile of Tert-butyl peroxycrotonate
Property Insights of Tert-butyl peroxycrotonate
The XLogP value of 1.8358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl peroxycrotonate. With a topological polar surface area (TPSA) of 35.53 Ų, Tert-butyl peroxycrotonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl peroxycrotonate 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 peroxycrotonate?
The CAS number of Tert-butyl peroxycrotonate is 23966-70-3.
What is the molecular formula of Tert-butyl peroxycrotonate?
The molecular formula of Tert-butyl peroxycrotonate is C8H14O3.
What is the molecular weight of Tert-butyl peroxycrotonate?
The molecular weight of Tert-butyl peroxycrotonate is 158.09 g/mol.
Where can I buy Tert-butyl peroxycrotonate?
You can request a quote for Tert-butyl peroxycrotonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl peroxycrotonate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl peroxycrotonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.