4-Oxo-2-phenyl-4-(4-phenylphenyl)butanenitrile
TL;DR: 4-Oxo-2-phenyl-4-(4-phenylphenyl)butanenitrile (CAS 63472-03-7) is a chemical compound with molecular formula C22H17NO and molecular weight 311.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-2-phenyl-4-(4-phenylphenyl)butanenitrile
Also Known As: 4-oxo-2-phenyl-4-(4-phenylphenyl)butanenitrile, J3.469.014F, 2-Phenyl-4-oxo-4-(4-phenylphenyl)butanenitrile, 4-([1,1'-Biphenyl]-4-yl)-4-oxo-2-phenylbutanenitrile, 4-{[1,1'-biphenyl]-4-yl}-4-oxo-2-phenylbutanenitrile
| Molecular Formula | C22H17NO |
|---|---|
| Molecular Weight | 311.13 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.131 |
| Heavy Atoms | 24 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 63472-03-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CC(C#N)C3=CC=CC=C3 |
| InChIKey | XWRBNQWXBPDGNT-UHFFFAOYSA-N |
Product Overview
4-Oxo-2-phenyl-4-(4-phenylphenyl)butanenitrile (CAS 63472-03-7), with molecular formula C22H17NO and molecular weight 311.13 g/mol. IUPAC: 4-oxo-2-phenyl-4-(4-phenylphenyl)butanenitrile.
Chemical Property Profile of 4-Oxo-2-phenyl-4-(4-phenylphenyl)butanenitrile
Property Insights of 4-Oxo-2-phenyl-4-(4-phenylphenyl)butanenitrile
The XLogP value of 4.6 indicates that 4-Oxo-2-phenyl-4-(4-phenylphenyl)butanenitrile 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-Oxo-2-phenyl-4-(4-phenylphenyl)butanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Oxo-2-phenyl-4-(4-phenylphenyl)butanenitrile 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-Oxo-2-phenyl-4-(4-phenylphenyl)butanenitrile?
The CAS number of 4-Oxo-2-phenyl-4-(4-phenylphenyl)butanenitrile is 63472-03-7.
What is the molecular formula of 4-Oxo-2-phenyl-4-(4-phenylphenyl)butanenitrile?
The molecular formula of 4-Oxo-2-phenyl-4-(4-phenylphenyl)butanenitrile is C22H17NO.
What is the molecular weight of 4-Oxo-2-phenyl-4-(4-phenylphenyl)butanenitrile?
The molecular weight of 4-Oxo-2-phenyl-4-(4-phenylphenyl)butanenitrile is 311.13 g/mol.
Where can I buy 4-Oxo-2-phenyl-4-(4-phenylphenyl)butanenitrile?
You can request a quote for 4-Oxo-2-phenyl-4-(4-phenylphenyl)butanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-2-phenyl-4-(4-phenylphenyl)butanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-2-phenyl-4-(4-phenylphenyl)butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.