4-(4-Methylphenyl)-4-oxo-2-phenylbutanenitrile
TL;DR: 4-(4-Methylphenyl)-4-oxo-2-phenylbutanenitrile (CAS 7497-46-3) is a chemical compound with molecular formula C17H15NO and molecular weight 249.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)-4-oxo-2-phenylbutanenitrile
Also Known As: 4-(4-methylphenyl)-4-oxo-2-phenylbutanenitrile, J2.427.364D, 2-Phenyl-4-(4-methylphenyl)-4-oxobutanenitrile, Benzenebutanenitrile, 4-methyl-.gamma.-oxo-.alpha.-phenyl-, RefChem:288167
| Molecular Formula | C17H15NO |
|---|---|
| Molecular Weight | 249.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.11537 |
| Heavy Atoms | 19 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 7497-46-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CC(C#N)C2=CC=CC=C2 |
| InChIKey | ZDAOWHOOBWVDEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-Methylphenyl)-4-oxo-2-phenylbutanenitrile (CAS 7497-46-3), with molecular formula C17H15NO and molecular weight 249.12 g/mol. IUPAC: 4-(4-methylphenyl)-4-oxo-2-phenylbutanenitrile.
Chemical Property Profile of 4-(4-Methylphenyl)-4-oxo-2-phenylbutanenitrile
Property Insights of 4-(4-Methylphenyl)-4-oxo-2-phenylbutanenitrile
The XLogP value of 3.3 indicates that 4-(4-Methylphenyl)-4-oxo-2-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, 4-(4-Methylphenyl)-4-oxo-2-phenylbutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Methylphenyl)-4-oxo-2-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 4-(4-Methylphenyl)-4-oxo-2-phenylbutanenitrile?
The CAS number of 4-(4-Methylphenyl)-4-oxo-2-phenylbutanenitrile is 7497-46-3.
What is the molecular formula of 4-(4-Methylphenyl)-4-oxo-2-phenylbutanenitrile?
The molecular formula of 4-(4-Methylphenyl)-4-oxo-2-phenylbutanenitrile is C17H15NO.
What is the molecular weight of 4-(4-Methylphenyl)-4-oxo-2-phenylbutanenitrile?
The molecular weight of 4-(4-Methylphenyl)-4-oxo-2-phenylbutanenitrile is 249.12 g/mol.
Where can I buy 4-(4-Methylphenyl)-4-oxo-2-phenylbutanenitrile?
You can request a quote for 4-(4-Methylphenyl)-4-oxo-2-phenylbutanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Methylphenyl)-4-oxo-2-phenylbutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methylphenyl)-4-oxo-2-phenylbutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.