3-(4-Methylphenyl)-3-oxo-2-phenylpropanenitrile
TL;DR: 3-(4-Methylphenyl)-3-oxo-2-phenylpropanenitrile (CAS 25124-92-9) is a chemical compound with molecular formula C16H13NO and molecular weight 235.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)-3-oxo-2-phenylpropanenitrile
Also Known As: 3-(4-methylphenyl)-3-oxo-2-phenylpropanenitrile, alpha-Phenyl-beta-oxo-4-methylbenzenepropanenitrile, J1.557.126H
| Molecular Formula | C16H13NO |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 3.4851 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.09972 |
| Heavy Atoms | 18 |
| Complexity | 578.7441 |
Chemical Identifiers
| CAS Number | 25124-92-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C(C#N)C2=CC=CC=C2 |
Product Overview
3-(4-Methylphenyl)-3-oxo-2-phenylpropanenitrile (CAS 25124-92-9), with molecular formula C16H13NO and molecular weight 235.10 g/mol. IUPAC: 3-(4-methylphenyl)-3-oxo-2-phenylpropanenitrile.
Chemical Property Profile of 3-(4-Methylphenyl)-3-oxo-2-phenylpropanenitrile
Property Insights of 3-(4-Methylphenyl)-3-oxo-2-phenylpropanenitrile
The XLogP value of 3.4851 indicates that 3-(4-Methylphenyl)-3-oxo-2-phenylpropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, 3-(4-Methylphenyl)-3-oxo-2-phenylpropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methylphenyl)-3-oxo-2-phenylpropanenitrile 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 3-(4-Methylphenyl)-3-oxo-2-phenylpropanenitrile?
The CAS number of 3-(4-Methylphenyl)-3-oxo-2-phenylpropanenitrile is 25124-92-9.
What is the molecular formula of 3-(4-Methylphenyl)-3-oxo-2-phenylpropanenitrile?
The molecular formula of 3-(4-Methylphenyl)-3-oxo-2-phenylpropanenitrile is C16H13NO.
What is the molecular weight of 3-(4-Methylphenyl)-3-oxo-2-phenylpropanenitrile?
The molecular weight of 3-(4-Methylphenyl)-3-oxo-2-phenylpropanenitrile is 235.10 g/mol.
Where can I buy 3-(4-Methylphenyl)-3-oxo-2-phenylpropanenitrile?
You can request a quote for 3-(4-Methylphenyl)-3-oxo-2-phenylpropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methylphenyl)-3-oxo-2-phenylpropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methylphenyl)-3-oxo-2-phenylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.