2-(4-Cyanophenyl)-2-methyloxirane
TL;DR: 2-(4-Cyanophenyl)-2-methyloxirane (CAS 104953-00-6) is a chemical compound with molecular formula C10H9NO and molecular weight 159.06842 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-methyloxiran-2-yl)benzonitrile
Also Known As: 4-(2-Methyloxiranyl)benzonitrile, 2-(4-Cyanophenyl)-2-methyloxirane, Benzonitrile, p-(1-methylepoxyethyl)-, 4-(3-methyloxiran-2-yl)benzonitrile, 4-(2-methyloxiran-2-yl)benzonitrile
Technical Specifications
| Molecular Formula | C10H9NO |
| Molecular Weight | 159.06842 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.06842 Da |
| Heavy Atoms | 12 |
| Complexity | 209.0 |
| SMILES | CC1C(O1)C2=CC=C(C=C2)C#N |
| InChIKey | WJJRNYZKTUGJKE-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Cyanophenyl)-2-methyloxirane
Property Insights of 2-(4-Cyanophenyl)-2-methyloxirane
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Cyanophenyl)-2-methyloxirane. With a topological polar surface area (TPSA) of 36.3 Ų, 2-(4-Cyanophenyl)-2-methyloxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Cyanophenyl)-2-methyloxirane has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(4-Cyanophenyl)-2-methyloxirane?
The CAS number of 2-(4-Cyanophenyl)-2-methyloxirane is 104953-00-6.
What is the molecular formula of 2-(4-Cyanophenyl)-2-methyloxirane?
The molecular formula of 2-(4-Cyanophenyl)-2-methyloxirane is C10H9NO.
What is the molecular weight of 2-(4-Cyanophenyl)-2-methyloxirane?
The molecular weight of 2-(4-Cyanophenyl)-2-methyloxirane is 159.06842 g/mol.
Where can I buy 2-(4-Cyanophenyl)-2-methyloxirane?
You can request a quote for 2-(4-Cyanophenyl)-2-methyloxirane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Cyanophenyl)-2-methyloxirane?
Yes, CoreyChem provides custom synthesis services for 2-(4-Cyanophenyl)-2-methyloxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.