Tert-butyl phenylethaneperoxoate
TL;DR: Tert-butyl phenylethaneperoxoate (CAS 3377-89-7) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-phenylethaneperoxoate
Also Known As: t-butylphenylperacetate, tert-butyl phenylperoxyacetate, tert-butyl 2-phenylethaneperoxoate, tert-butyl phenylethaneperoxoate, tert-Butyl(phenylacetyl) peroxide
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 3377-89-7 |
|---|---|
| SMILES | CC(C)(C)OOC(=O)CC1=CC=CC=C1 |
| InChIKey | YGGFEDOYRMOTLZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tert-butyl phenylethaneperoxoate (CAS 3377-89-7), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: tert-butyl 2-phenylethaneperoxoate.
Chemical Property Profile of Tert-butyl phenylethaneperoxoate
Property Insights of Tert-butyl phenylethaneperoxoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl phenylethaneperoxoate. With a topological polar surface area (TPSA) of 35.5 Ų, Tert-butyl phenylethaneperoxoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl phenylethaneperoxoate 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 phenylethaneperoxoate?
The CAS number of Tert-butyl phenylethaneperoxoate is 3377-89-7.
What is the molecular formula of Tert-butyl phenylethaneperoxoate?
The molecular formula of Tert-butyl phenylethaneperoxoate is C12H16O3.
What is the molecular weight of Tert-butyl phenylethaneperoxoate?
The molecular weight of Tert-butyl phenylethaneperoxoate is 208.11 g/mol.
Where can I buy Tert-butyl phenylethaneperoxoate?
You can request a quote for Tert-butyl phenylethaneperoxoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl phenylethaneperoxoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl phenylethaneperoxoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.