![4-[3-(2-Hydroxyphenyl)-3-oxoprop-1-en-1-yl]benzonitrile structure](/static/products/3033/3033-94-1.webp)
4-[3-(2-Hydroxyphenyl)-3-oxoprop-1-en-1-yl]benzonitrile
TL;DR: 4-[3-(2-Hydroxyphenyl)-3-oxoprop-1-en-1-yl]benzonitrile (CAS 3033-94-1) is a chemical compound with molecular formula C16H11NO2 and molecular weight 249.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]benzonitrile
Also Known As: 4-Cyan-2'-hydroxy-chalkon, 4-[3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]benzonitrile, 4-[3-(2-hydroxyphenyl)-3-oxoprop-1-en-1-yl]benzonitrile, Benzonitrile, 4-[3-(2-hydroxyphenyl)-3-oxo-1-propenyl]-
| Molecular Formula | C16H11NO2 |
|---|---|
| Molecular Weight | 249.08 g/mol |
| LogP | 3.15998 |
| Topological Polar Surface Area | 61.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.07898 |
| Heavy Atoms | 19 |
| Complexity | 663.89343 |
Chemical Identifiers
| CAS Number | 3033-94-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)C=CC2=CC=C(C=C2)C#N)O |
Product Overview
4-[3-(2-Hydroxyphenyl)-3-oxoprop-1-en-1-yl]benzonitrile (CAS 3033-94-1), with molecular formula C16H11NO2 and molecular weight 249.08 g/mol. IUPAC: 4-[3-(2-hydroxyphenyl)-3-oxoprop-1-enyl]benzonitrile.
Chemical Property Profile of 4-[3-(2-Hydroxyphenyl)-3-oxoprop-1-en-1-yl]benzonitrile
Property Insights of 4-[3-(2-Hydroxyphenyl)-3-oxoprop-1-en-1-yl]benzonitrile
The XLogP value of 3.15998 indicates that 4-[3-(2-Hydroxyphenyl)-3-oxoprop-1-en-1-yl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(2-Hydroxyphenyl)-3-oxoprop-1-en-1-yl]benzonitrile. Following Lipinski's Rule of Five, 4-[3-(2-Hydroxyphenyl)-3-oxoprop-1-en-1-yl]benzonitrile has 1 hydrogen bond donor(s) and 3 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-[3-(2-Hydroxyphenyl)-3-oxoprop-1-en-1-yl]benzonitrile?
The CAS number of 4-[3-(2-Hydroxyphenyl)-3-oxoprop-1-en-1-yl]benzonitrile is 3033-94-1.
What is the molecular formula of 4-[3-(2-Hydroxyphenyl)-3-oxoprop-1-en-1-yl]benzonitrile?
The molecular formula of 4-[3-(2-Hydroxyphenyl)-3-oxoprop-1-en-1-yl]benzonitrile is C16H11NO2.
What is the molecular weight of 4-[3-(2-Hydroxyphenyl)-3-oxoprop-1-en-1-yl]benzonitrile?
The molecular weight of 4-[3-(2-Hydroxyphenyl)-3-oxoprop-1-en-1-yl]benzonitrile is 249.08 g/mol.
Where can I buy 4-[3-(2-Hydroxyphenyl)-3-oxoprop-1-en-1-yl]benzonitrile?
You can request a quote for 4-[3-(2-Hydroxyphenyl)-3-oxoprop-1-en-1-yl]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-(2-Hydroxyphenyl)-3-oxoprop-1-en-1-yl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(2-Hydroxyphenyl)-3-oxoprop-1-en-1-yl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.