tert-Butyl peroxycinnamate
TL;DR: tert-Butyl peroxycinnamate (CAS 21762-12-9) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (E)-3-phenylprop-2-eneperoxoate
Also Known As: tert-Butyl peroxycinnamate, tert-butyl 3-phenylprop-2-eneperoxoate, EINECS 218-338-4, tert-butyl (E)-3-phenylprop-2-eneperoxoate, 3-Phenyl-2-propeneperoxoic acid tert-butyl ester
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 2.9731 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 360.51413 |
Chemical Identifiers
| CAS Number | 21762-12-9 |
|---|---|
| SMILES | CC(C)(C)OOC(=O)/C=C/C1=CC=CC=C1 |
Product Overview
tert-Butyl peroxycinnamate (CAS 21762-12-9), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: tert-butyl (E)-3-phenylprop-2-eneperoxoate.
Chemical Property Profile of tert-Butyl peroxycinnamate
Property Insights of tert-Butyl peroxycinnamate
The XLogP value of 2.9731 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl peroxycinnamate. With a topological polar surface area (TPSA) of 35.53 Ų, tert-Butyl peroxycinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl peroxycinnamate 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 peroxycinnamate?
The CAS number of tert-Butyl peroxycinnamate is 21762-12-9.
What is the molecular formula of tert-Butyl peroxycinnamate?
The molecular formula of tert-Butyl peroxycinnamate is C13H16O3.
What is the molecular weight of tert-Butyl peroxycinnamate?
The molecular weight of tert-Butyl peroxycinnamate is 220.11 g/mol.
Where can I buy tert-Butyl peroxycinnamate?
You can request a quote for tert-Butyl peroxycinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl peroxycinnamate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl peroxycinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.