Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)-
TL;DR: Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)- (CAS 22966-17-2) is a chemical compound with molecular formula C16H11NO and molecular weight 233.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-3-oxo-3-phenylprop-1-enyl]benzonitrile
Also Known As: p-cyanochalcone, 4-Cyanochalcone, (E)-4-Cyanochalcone, 4-Cyanostyrylphenyl ketone, Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)-
| Molecular Formula | C16H11NO |
|---|---|
| Molecular Weight | 233.08 g/mol |
| LogP | 3.45438 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.08406 |
| Heavy Atoms | 18 |
| Complexity | 603.7953 |
Chemical Identifiers
| CAS Number | 22966-17-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)C#N |
Product Overview
Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)- (CAS 22966-17-2), with molecular formula C16H11NO and molecular weight 233.08 g/mol. IUPAC: 4-[(E)-3-oxo-3-phenylprop-1-enyl]benzonitrile.
Chemical Property Profile of Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)-
Property Insights of Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)-
The XLogP value of 3.45438 indicates that Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)- 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
Frequently Asked Questions
What is the CAS number of Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)-?
The CAS number of Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)- is 22966-17-2.
What is the molecular formula of Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)-?
The molecular formula of Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)- is C16H11NO.
What is the molecular weight of Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)-?
The molecular weight of Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)- is 233.08 g/mol.
Where can I buy Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)-?
You can request a quote for Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.