(2r,3r)-2-Ethyl-3-phenyloxirane
TL;DR: (2r,3r)-2-Ethyl-3-phenyloxirane (CAS 71411-68-2) is a chemical compound with molecular formula C10H12O and molecular weight 148.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R)-2-ethyl-3-phenyloxirane
Also Known As: beta-Ethylstyrene oxide, 2-ethyl-3-phenyloxirane, (2r,3r)-2-ethyl-3-phenyloxirane, cis-2-Ethyl-3-phenyloxirane, trans-2-Ethyl-3-phenyloxirane
| Molecular Formula | C10H12O |
|---|---|
| Molecular Weight | 148.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 148.08882 |
| Heavy Atoms | 11 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 71411-68-2 |
|---|---|
| SMILES | CC[C@@H]1[C@H](O1)C2=CC=CC=C2 |
| InChIKey | BAFMBHJRYJBYQD-NXEZZACHSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2r,3r)-2-Ethyl-3-phenyloxirane (CAS 71411-68-2), with molecular formula C10H12O and molecular weight 148.09 g/mol. IUPAC: (2R,3R)-2-ethyl-3-phenyloxirane.
Chemical Property Profile of (2r,3r)-2-Ethyl-3-phenyloxirane
Property Insights of (2r,3r)-2-Ethyl-3-phenyloxirane
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2r,3r)-2-Ethyl-3-phenyloxirane. With a topological polar surface area (TPSA) of 12.5 Ų, (2r,3r)-2-Ethyl-3-phenyloxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2r,3r)-2-Ethyl-3-phenyloxirane 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 (2r,3r)-2-Ethyl-3-phenyloxirane?
The CAS number of (2r,3r)-2-Ethyl-3-phenyloxirane is 71411-68-2.
What is the molecular formula of (2r,3r)-2-Ethyl-3-phenyloxirane?
The molecular formula of (2r,3r)-2-Ethyl-3-phenyloxirane is C10H12O.
What is the molecular weight of (2r,3r)-2-Ethyl-3-phenyloxirane?
The molecular weight of (2r,3r)-2-Ethyl-3-phenyloxirane is 148.09 g/mol.
Where can I buy (2r,3r)-2-Ethyl-3-phenyloxirane?
You can request a quote for (2r,3r)-2-Ethyl-3-phenyloxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2r,3r)-2-Ethyl-3-phenyloxirane?
Yes, KEHONG BIO provides custom synthesis services for (2r,3r)-2-Ethyl-3-phenyloxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.