2,4-Bis(4-chlorophenyl)-4-oxobutanenitrile
TL;DR: 2,4-Bis(4-chlorophenyl)-4-oxobutanenitrile (CAS 344281-01-2) 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.
2,4-bis(4-chlorophenyl)-4-oxobutanenitrile
Also Known As: 2,4-bis(4-chlorophenyl)-4-oxobutanenitrile, 7J-561S
| 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 | 344281-01-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(CC(=O)C2=CC=C(C=C2)Cl)C#N)Cl |
Product Overview
2,4-Bis(4-chlorophenyl)-4-oxobutanenitrile (CAS 344281-01-2), with molecular formula C16H11Cl2NO and molecular weight 303.02 g/mol. IUPAC: 2,4-bis(4-chlorophenyl)-4-oxobutanenitrile.
Chemical Property Profile of 2,4-Bis(4-chlorophenyl)-4-oxobutanenitrile
Property Insights of 2,4-Bis(4-chlorophenyl)-4-oxobutanenitrile
The XLogP value of 4.87358 indicates that 2,4-Bis(4-chlorophenyl)-4-oxobutanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, 2,4-Bis(4-chlorophenyl)-4-oxobutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Bis(4-chlorophenyl)-4-oxobutanenitrile 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 2,4-Bis(4-chlorophenyl)-4-oxobutanenitrile?
The CAS number of 2,4-Bis(4-chlorophenyl)-4-oxobutanenitrile is 344281-01-2.
What is the molecular formula of 2,4-Bis(4-chlorophenyl)-4-oxobutanenitrile?
The molecular formula of 2,4-Bis(4-chlorophenyl)-4-oxobutanenitrile is C16H11Cl2NO.
What is the molecular weight of 2,4-Bis(4-chlorophenyl)-4-oxobutanenitrile?
The molecular weight of 2,4-Bis(4-chlorophenyl)-4-oxobutanenitrile is 303.02 g/mol.
Where can I buy 2,4-Bis(4-chlorophenyl)-4-oxobutanenitrile?
You can request a quote for 2,4-Bis(4-chlorophenyl)-4-oxobutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Bis(4-chlorophenyl)-4-oxobutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Bis(4-chlorophenyl)-4-oxobutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.