![[4-(2-Cyano-3-oxo-3-phenylprop-1-enyl)phenyl] benzoate structure](/static/products/5535/5535-57-9.webp)
[4-(2-Cyano-3-oxo-3-phenylprop-1-enyl)phenyl] benzoate
TL;DR: [4-(2-Cyano-3-oxo-3-phenylprop-1-enyl)phenyl] benzoate (CAS 5535-57-9) is a chemical compound with molecular formula C23H15NO3 and molecular weight 353.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-cyano-3-oxo-3-phenylprop-1-enyl)phenyl] benzoate
Also Known As: [4-(2-cyano-3-oxo-3-phenylprop-1-enyl)phenyl] benzoate|[4-(2-cyano-3-oxo-3-phenyl-prop-1-enyl)phenyl] Benzoate|4-(2-Cyano-3-oxo-3-phenylprop-1-en-1-yl)phenyl benzoate
| Molecular Formula | C23H15NO3 |
|---|---|
| Molecular Weight | 353.11 g/mol |
| LogP | 4.69568 |
| Topological Polar Surface Area | 67.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.1052 |
| Heavy Atoms | 27 |
| Complexity | 1014.72845 |
Chemical Identifiers
| CAS Number | 5535-57-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)C#N |
Product Overview
[4-(2-Cyano-3-oxo-3-phenylprop-1-enyl)phenyl] benzoate (CAS 5535-57-9), with molecular formula C23H15NO3 and molecular weight 353.11 g/mol. IUPAC: [4-(2-cyano-3-oxo-3-phenylprop-1-enyl)phenyl] benzoate.
Chemical Property Profile of [4-(2-Cyano-3-oxo-3-phenylprop-1-enyl)phenyl] benzoate
Property Insights of [4-(2-Cyano-3-oxo-3-phenylprop-1-enyl)phenyl] benzoate
The XLogP value of 4.69568 indicates that [4-(2-Cyano-3-oxo-3-phenylprop-1-enyl)phenyl] benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.16 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(2-Cyano-3-oxo-3-phenylprop-1-enyl)phenyl] benzoate. Following Lipinski's Rule of Five, [4-(2-Cyano-3-oxo-3-phenylprop-1-enyl)phenyl] benzoate has 0 hydrogen bond donor(s) and 4 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 [4-(2-Cyano-3-oxo-3-phenylprop-1-enyl)phenyl] benzoate?
The CAS number of [4-(2-Cyano-3-oxo-3-phenylprop-1-enyl)phenyl] benzoate is 5535-57-9.
What is the molecular formula of [4-(2-Cyano-3-oxo-3-phenylprop-1-enyl)phenyl] benzoate?
The molecular formula of [4-(2-Cyano-3-oxo-3-phenylprop-1-enyl)phenyl] benzoate is C23H15NO3.
What is the molecular weight of [4-(2-Cyano-3-oxo-3-phenylprop-1-enyl)phenyl] benzoate?
The molecular weight of [4-(2-Cyano-3-oxo-3-phenylprop-1-enyl)phenyl] benzoate is 353.11 g/mol.
Where can I buy [4-(2-Cyano-3-oxo-3-phenylprop-1-enyl)phenyl] benzoate?
You can request a quote for [4-(2-Cyano-3-oxo-3-phenylprop-1-enyl)phenyl] benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(2-Cyano-3-oxo-3-phenylprop-1-enyl)phenyl] benzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-(2-Cyano-3-oxo-3-phenylprop-1-enyl)phenyl] benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.