![2-[[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]amino]benzonitrile structure](/static/products/444/444791-08-6.png)
2-[[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]amino]benzonitrile
TL;DR: 2-[[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]amino]benzonitrile (CAS 444791-08-6) is a chemical compound with molecular formula C16H11ClN2O and molecular weight 282.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]benzonitrile
Also Known As: 2-{[3-(4-chlorophenyl)-3-oxo-1-propenyl]amino}benzonitrile, 2-[[3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]benzonitrile
| Molecular Formula | C16H11ClN2O |
|---|---|
| Molecular Weight | 282.06 g/mol |
| LogP | 4.02018 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.056 |
| Heavy Atoms | 20 |
| Complexity | 684.3682 |
Chemical Identifiers
| CAS Number | 444791-08-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)NC=CC(=O)C2=CC=C(C=C2)Cl |
Product Overview
2-[[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]amino]benzonitrile (CAS 444791-08-6), with molecular formula C16H11ClN2O and molecular weight 282.06 g/mol. IUPAC: 2-[[3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]benzonitrile.
Chemical Property Profile of 2-[[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]amino]benzonitrile
Property Insights of 2-[[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]amino]benzonitrile
The XLogP value of 4.02018 indicates that 2-[[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]amino]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 2-[[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]amino]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]amino]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 2-[[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]amino]benzonitrile?
The CAS number of 2-[[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]amino]benzonitrile is 444791-08-6.
What is the molecular formula of 2-[[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]amino]benzonitrile?
The molecular formula of 2-[[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]amino]benzonitrile is C16H11ClN2O.
What is the molecular weight of 2-[[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]amino]benzonitrile?
The molecular weight of 2-[[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]amino]benzonitrile is 282.06 g/mol.
Where can I buy 2-[[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]amino]benzonitrile?
You can request a quote for 2-[[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]amino]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]amino]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]amino]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.