Tert-butyl 3-phenylprop-2-eneperoxoate
TL;DR: Tert-butyl 3-phenylprop-2-eneperoxoate (CAS 2123-92-4) 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 3-phenylprop-2-eneperoxoate
Also Known As: tert-butyl 3-phenylprop-2-eneperoxoate, tert-butyl 3-phenyl-2-peroxypropenoate, (E)-tert-butyl 3-phenylprop-2-eneperoxoate, 1,1-Dimethylethyl 3-phenyl-2-propeneperoxoate, 2-Propeneperoxoic acid,3-phenyl-, 1,1-dimethylethyl ester
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 2123-92-4 |
|---|---|
| SMILES | CC(C)(C)OOC(=O)C=CC1=CC=CC=C1 |
| InChIKey | BPCBXWVRESTYBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tert-butyl 3-phenylprop-2-eneperoxoate (CAS 2123-92-4), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: tert-butyl 3-phenylprop-2-eneperoxoate.
Chemical Property Profile of Tert-butyl 3-phenylprop-2-eneperoxoate
Property Insights of Tert-butyl 3-phenylprop-2-eneperoxoate
The XLogP value of 3.2 indicates that Tert-butyl 3-phenylprop-2-eneperoxoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Tert-butyl 3-phenylprop-2-eneperoxoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 3-phenylprop-2-eneperoxoate 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 3-phenylprop-2-eneperoxoate?
The CAS number of Tert-butyl 3-phenylprop-2-eneperoxoate is 2123-92-4.
What is the molecular formula of Tert-butyl 3-phenylprop-2-eneperoxoate?
The molecular formula of Tert-butyl 3-phenylprop-2-eneperoxoate is C13H16O3.
What is the molecular weight of Tert-butyl 3-phenylprop-2-eneperoxoate?
The molecular weight of Tert-butyl 3-phenylprop-2-eneperoxoate is 220.11 g/mol.
Where can I buy Tert-butyl 3-phenylprop-2-eneperoxoate?
You can request a quote for Tert-butyl 3-phenylprop-2-eneperoxoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 3-phenylprop-2-eneperoxoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 3-phenylprop-2-eneperoxoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.