2-(2-Phenylethyl)oxirane
TL;DR: 2-(2-Phenylethyl)oxirane (CAS 1126-76-7) is a chemical compound with molecular formula C1C(O1)CCC2=CC=CC=C2 and molecular weight 148.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-phenylethyl)oxirane
Also Known As: 2-(2-phenylethyl)oxirane, (3,4-Epoxybutyl)benzene, 2-phenethyloxirane, phenethyloxirane, Phenylbutylene oxide
| Molecular Formula | C1C(O1)CCC2=CC=CC=C2 |
|---|---|
| Molecular Weight | 148.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 148.08882 |
| Heavy Atoms | 11 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 1126-76-7 |
|---|---|
| SMILES | C1C(O1)CCC2=CC=CC=C2 |
| InChIKey | JVGAGAVQROERFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Phenylethyl)oxirane (CAS 1126-76-7), with molecular formula C1C(O1)CCC2=CC=CC=C2 and molecular weight 148.09 g/mol. IUPAC: 2-(2-phenylethyl)oxirane.
Chemical Property Profile of 2-(2-Phenylethyl)oxirane
Property Insights of 2-(2-Phenylethyl)oxirane
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Phenylethyl)oxirane. With a topological polar surface area (TPSA) of 12.5 Ų, 2-(2-Phenylethyl)oxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Phenylethyl)oxirane has 0 hydrogen bond donor(s) and 1 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-(2-Phenylethyl)oxirane?
The CAS number of 2-(2-Phenylethyl)oxirane is 1126-76-7.
What is the molecular formula of 2-(2-Phenylethyl)oxirane?
The molecular formula of 2-(2-Phenylethyl)oxirane is C1C(O1)CCC2=CC=CC=C2.
What is the molecular weight of 2-(2-Phenylethyl)oxirane?
The molecular weight of 2-(2-Phenylethyl)oxirane is 148.09 g/mol.
Where can I buy 2-(2-Phenylethyl)oxirane?
You can request a quote for 2-(2-Phenylethyl)oxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Phenylethyl)oxirane?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Phenylethyl)oxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.