2-(4-Chlorophenyl)-3-oxo-4-phenylbutanenitrile
TL;DR: 2-(4-Chlorophenyl)-3-oxo-4-phenylbutanenitrile (CAS 35741-47-0) 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-(4-chlorophenyl)-3-oxo-4-phenylbutanenitrile
Also Known As: 2-(4-chlorophenyl)-3-oxo-4-phenylbutanenitrile, Bionet2_000299, 2-(4-chloro-phenyl)-4-phenyl-acetoacetonitrile, 3-FLUORO-4-PROPOXYPHENYLBORONICACID, 3J-041
| Molecular Formula | C16H12ClNO |
|---|---|
| Molecular Weight | 269.06 g/mol |
| LogP | 3.75898 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.06073 |
| Heavy Atoms | 19 |
| Complexity | 598.8961 |
Chemical Identifiers
| CAS Number | 35741-47-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)C(C#N)C2=CC=C(C=C2)Cl |
Product Overview
2-(4-Chlorophenyl)-3-oxo-4-phenylbutanenitrile (CAS 35741-47-0), with molecular formula C16H12ClNO and molecular weight 269.06 g/mol. IUPAC: 2-(4-chlorophenyl)-3-oxo-4-phenylbutanenitrile.
Chemical Property Profile of 2-(4-Chlorophenyl)-3-oxo-4-phenylbutanenitrile
Property Insights of 2-(4-Chlorophenyl)-3-oxo-4-phenylbutanenitrile
The XLogP value of 3.75898 indicates that 2-(4-Chlorophenyl)-3-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-(4-Chlorophenyl)-3-oxo-4-phenylbutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)-3-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-(4-Chlorophenyl)-3-oxo-4-phenylbutanenitrile?
The CAS number of 2-(4-Chlorophenyl)-3-oxo-4-phenylbutanenitrile is 35741-47-0.
What is the molecular formula of 2-(4-Chlorophenyl)-3-oxo-4-phenylbutanenitrile?
The molecular formula of 2-(4-Chlorophenyl)-3-oxo-4-phenylbutanenitrile is C16H12ClNO.
What is the molecular weight of 2-(4-Chlorophenyl)-3-oxo-4-phenylbutanenitrile?
The molecular weight of 2-(4-Chlorophenyl)-3-oxo-4-phenylbutanenitrile is 269.06 g/mol.
Where can I buy 2-(4-Chlorophenyl)-3-oxo-4-phenylbutanenitrile?
You can request a quote for 2-(4-Chlorophenyl)-3-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-(4-Chlorophenyl)-3-oxo-4-phenylbutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)-3-oxo-4-phenylbutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.