2-(2-Chlorophenyl)-4-oxo-4-phenylbutanenitrile
TL;DR: 2-(2-Chlorophenyl)-4-oxo-4-phenylbutanenitrile (CAS 3300-68-3) is a chemical compound with molecular formula C16H12ClNO and molecular weight 269.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chlorophenyl)-4-oxo-4-phenylbutanenitrile
Also Known As: 2-(2-chlorophenyl)-4-oxo-4-phenylbutanenitrile, 1-Phenyl-3-(2-chlorophenyl)-3-cyano-1-propanone, J2.834.443K
| Molecular Formula | C16H12ClNO |
|---|---|
| Molecular Weight | 269.06 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.06073 |
| Heavy Atoms | 19 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 3300-68-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC(C#N)C2=CC=CC=C2Cl |
| InChIKey | IERKUBFHQMKYFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Chlorophenyl)-4-oxo-4-phenylbutanenitrile (CAS 3300-68-3), with molecular formula C16H12ClNO and molecular weight 269.06 g/mol. IUPAC: 2-(2-chlorophenyl)-4-oxo-4-phenylbutanenitrile.
Chemical Property Profile of 2-(2-Chlorophenyl)-4-oxo-4-phenylbutanenitrile
Property Insights of 2-(2-Chlorophenyl)-4-oxo-4-phenylbutanenitrile
The XLogP value of 3.6 indicates that 2-(2-Chlorophenyl)-4-oxo-4-phenylbutanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.9 Ų, 2-(2-Chlorophenyl)-4-oxo-4-phenylbutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chlorophenyl)-4-oxo-4-phenylbutanenitrile 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 2-(2-Chlorophenyl)-4-oxo-4-phenylbutanenitrile?
The CAS number of 2-(2-Chlorophenyl)-4-oxo-4-phenylbutanenitrile is 3300-68-3.
What is the molecular formula of 2-(2-Chlorophenyl)-4-oxo-4-phenylbutanenitrile?
The molecular formula of 2-(2-Chlorophenyl)-4-oxo-4-phenylbutanenitrile is C16H12ClNO.
What is the molecular weight of 2-(2-Chlorophenyl)-4-oxo-4-phenylbutanenitrile?
The molecular weight of 2-(2-Chlorophenyl)-4-oxo-4-phenylbutanenitrile is 269.06 g/mol.
Where can I buy 2-(2-Chlorophenyl)-4-oxo-4-phenylbutanenitrile?
You can request a quote for 2-(2-Chlorophenyl)-4-oxo-4-phenylbutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Chlorophenyl)-4-oxo-4-phenylbutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chlorophenyl)-4-oxo-4-phenylbutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.