![4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzonitrile structure](/static/products/6258/62584-60-5.webp)
4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzonitrile
TL;DR: 4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzonitrile (CAS 62584-60-5) is a chemical compound with molecular formula C16H10ClNO and molecular weight 267.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-chlorophenyl)-3-oxoprop-1-enyl]benzonitrile
Also Known As: 4-[3-(4-chlorophenyl)-3-oxoprop-1-enyl]benzonitrile, Benzonitrile, 4-[3-(4-chlorophenyl)-3-oxo-1-propenyl]-, 4-[3-(4-CHLOROPHENYL)-3-OXOPROP-1-EN-1-YL]BENZONITRILE
| Molecular Formula | C16H10ClNO |
|---|---|
| Molecular Weight | 267.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.0451 |
| Heavy Atoms | 19 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 62584-60-5 |
|---|---|
| SMILES | C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)Cl)C#N |
| InChIKey | KSPUPHDQJGCQCN-UHFFFAOYSA-N |
Product Overview
4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzonitrile (CAS 62584-60-5), with molecular formula C16H10ClNO and molecular weight 267.05 g/mol. IUPAC: 4-[3-(4-chlorophenyl)-3-oxoprop-1-enyl]benzonitrile.
Chemical Property Profile of 4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzonitrile
Property Insights of 4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzonitrile
The XLogP value of 3.4 indicates that 4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.9 Ų, 4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzonitrile 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 4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzonitrile?
The CAS number of 4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzonitrile is 62584-60-5.
What is the molecular formula of 4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzonitrile?
The molecular formula of 4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzonitrile is C16H10ClNO.
What is the molecular weight of 4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzonitrile?
The molecular weight of 4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzonitrile is 267.05 g/mol.
Where can I buy 4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzonitrile?
You can request a quote for 4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]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-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(4-Chlorophenyl)-3-oxoprop-1-enyl]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.