2-Phenylethylhydroperoxide
TL;DR: 2-Phenylethylhydroperoxide (CAS 4794-16-5) is a chemical compound with molecular formula C8H10O2 and molecular weight 138.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroperoxyethylbenzene
Also Known As: 2-Phenylethylhydroperoxide, 2-Pehp, 2-hydroperoxyethylbenzene, Phenethyl hydroperoxide, 2-phenylethane-1-peroxol
| Molecular Formula | C8H10O2 |
|---|---|
| Molecular Weight | 138.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 138.06808 |
| Heavy Atoms | 10 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 4794-16-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCOO |
| InChIKey | VZQOBPXGQJXYGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Phenylethylhydroperoxide (CAS 4794-16-5), with molecular formula C8H10O2 and molecular weight 138.07 g/mol. IUPAC: 2-hydroperoxyethylbenzene.
Chemical Property Profile of 2-Phenylethylhydroperoxide
Property Insights of 2-Phenylethylhydroperoxide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenylethylhydroperoxide. With a topological polar surface area (TPSA) of 29.5 Ų, 2-Phenylethylhydroperoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylethylhydroperoxide has 1 hydrogen bond donor(s) and 2 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 2-Phenylethylhydroperoxide?
The CAS number of 2-Phenylethylhydroperoxide is 4794-16-5.
What is the molecular formula of 2-Phenylethylhydroperoxide?
The molecular formula of 2-Phenylethylhydroperoxide is C8H10O2.
What is the molecular weight of 2-Phenylethylhydroperoxide?
The molecular weight of 2-Phenylethylhydroperoxide is 138.07 g/mol.
Where can I buy 2-Phenylethylhydroperoxide?
You can request a quote for 2-Phenylethylhydroperoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylethylhydroperoxide?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylethylhydroperoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.