2-(2,6-Dichlorophenyl)-4-oxo-4-phenylbutanenitrile
TL;DR: 2-(2,6-Dichlorophenyl)-4-oxo-4-phenylbutanenitrile (CAS 344281-08-9) is a chemical compound with molecular formula C16H11Cl2NO and molecular weight 303.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,6-dichlorophenyl)-4-oxo-4-phenylbutanenitrile
Also Known As: 2-(2,6-dichlorophenyl)-4-oxo-4-phenylbutanenitrile, 7J-565S
| Molecular Formula | C16H11Cl2NO |
|---|---|
| Molecular Weight | 303.02 g/mol |
| LogP | 4.87358 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.02176 |
| Heavy Atoms | 20 |
| Complexity | 641.67224 |
Chemical Identifiers
| CAS Number | 344281-08-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC(C#N)C2=C(C=CC=C2Cl)Cl |
Product Overview
2-(2,6-Dichlorophenyl)-4-oxo-4-phenylbutanenitrile (CAS 344281-08-9), with molecular formula C16H11Cl2NO and molecular weight 303.02 g/mol. IUPAC: 2-(2,6-dichlorophenyl)-4-oxo-4-phenylbutanenitrile.
Chemical Property Profile of 2-(2,6-Dichlorophenyl)-4-oxo-4-phenylbutanenitrile
Property Insights of 2-(2,6-Dichlorophenyl)-4-oxo-4-phenylbutanenitrile
The XLogP value of 4.87358 indicates that 2-(2,6-Dichlorophenyl)-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 40.86 Ų, 2-(2,6-Dichlorophenyl)-4-oxo-4-phenylbutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,6-Dichlorophenyl)-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-(2,6-Dichlorophenyl)-4-oxo-4-phenylbutanenitrile?
The CAS number of 2-(2,6-Dichlorophenyl)-4-oxo-4-phenylbutanenitrile is 344281-08-9.
What is the molecular formula of 2-(2,6-Dichlorophenyl)-4-oxo-4-phenylbutanenitrile?
The molecular formula of 2-(2,6-Dichlorophenyl)-4-oxo-4-phenylbutanenitrile is C16H11Cl2NO.
What is the molecular weight of 2-(2,6-Dichlorophenyl)-4-oxo-4-phenylbutanenitrile?
The molecular weight of 2-(2,6-Dichlorophenyl)-4-oxo-4-phenylbutanenitrile is 303.02 g/mol.
Where can I buy 2-(2,6-Dichlorophenyl)-4-oxo-4-phenylbutanenitrile?
You can request a quote for 2-(2,6-Dichlorophenyl)-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-(2,6-Dichlorophenyl)-4-oxo-4-phenylbutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,6-Dichlorophenyl)-4-oxo-4-phenylbutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.