2-Phenacylpropanedinitrile
TL;DR: 2-Phenacylpropanedinitrile (CAS 145204-78-0) is a chemical compound with molecular formula C11H8N2O and molecular weight 184.06366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenacylpropanedinitrile
Also Known As: 2-(2-oxo-2-phenylethyl)malononitrile, phenacylmalononitrile, 2-phenacylpropanedinitrile, phenacyl malononitrile, (2-oxo-2-phenylethyl)malononitrile
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H8N2O |
| Molecular Weight | 184.06366 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 64.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.06366 Da |
| Heavy Atoms | 14 |
| Complexity | 282.0 |
| SMILES | C1=CC=C(C=C1)C(=O)CC(C#N)C#N |
| InChIKey | BLBGMYNEAJGTIY-UHFFFAOYSA-N |
Chemical Property Profile of 2-Phenacylpropanedinitrile
Property Insights of 2-Phenacylpropanedinitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenacylpropanedinitrile. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Phenacylpropanedinitrile. Following Lipinski's Rule of Five, 2-Phenacylpropanedinitrile 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
What is the CAS number of 2-Phenacylpropanedinitrile?
The CAS number of 2-Phenacylpropanedinitrile is 145204-78-0.
What is the molecular formula of 2-Phenacylpropanedinitrile?
The molecular formula of 2-Phenacylpropanedinitrile is C11H8N2O.
What is the molecular weight of 2-Phenacylpropanedinitrile?
The molecular weight of 2-Phenacylpropanedinitrile is 184.06366 g/mol.
Where can I buy 2-Phenacylpropanedinitrile?
You can request a quote for 2-Phenacylpropanedinitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Phenacylpropanedinitrile?
Yes, CoreyChem provides custom synthesis services for 2-Phenacylpropanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.