3-Oxo-4-phenyl-2-P-tolyl-butyronitrile
TL;DR: 3-Oxo-4-phenyl-2-P-tolyl-butyronitrile (CAS 35741-46-9) 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.
2-(4-methylphenyl)-3-oxo-4-phenylbutanenitrile
Also Known As: 3-OXO-4-PHENYL-2-P-TOLYL-BUTYRONITRILE, 2-(4-methylphenyl)-3-oxo-4-phenylbutanenitrile, 2-(4-methylphenyl)-3-oxo-4-phenyl-butanenitrile
| Molecular Formula | C17H15NO |
|---|---|
| Molecular Weight | 249.12 g/mol |
| LogP | 3.414 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.11537 |
| Heavy Atoms | 19 |
| Complexity | 593.40924 |
Chemical Identifiers
| CAS Number | 35741-46-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C#N)C(=O)CC2=CC=CC=C2 |
Product Overview
3-Oxo-4-phenyl-2-P-tolyl-butyronitrile (CAS 35741-46-9), with molecular formula C17H15NO and molecular weight 249.12 g/mol. IUPAC: 2-(4-methylphenyl)-3-oxo-4-phenylbutanenitrile.
Chemical Property Profile of 3-Oxo-4-phenyl-2-P-tolyl-butyronitrile
Property Insights of 3-Oxo-4-phenyl-2-P-tolyl-butyronitrile
The XLogP value of 3.414 indicates that 3-Oxo-4-phenyl-2-P-tolyl-butyronitrile 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-Oxo-4-phenyl-2-P-tolyl-butyronitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-4-phenyl-2-P-tolyl-butyronitrile 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-Oxo-4-phenyl-2-P-tolyl-butyronitrile?
The CAS number of 3-Oxo-4-phenyl-2-P-tolyl-butyronitrile is 35741-46-9.
What is the molecular formula of 3-Oxo-4-phenyl-2-P-tolyl-butyronitrile?
The molecular formula of 3-Oxo-4-phenyl-2-P-tolyl-butyronitrile is C17H15NO.
What is the molecular weight of 3-Oxo-4-phenyl-2-P-tolyl-butyronitrile?
The molecular weight of 3-Oxo-4-phenyl-2-P-tolyl-butyronitrile is 249.12 g/mol.
Where can I buy 3-Oxo-4-phenyl-2-P-tolyl-butyronitrile?
You can request a quote for 3-Oxo-4-phenyl-2-P-tolyl-butyronitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-4-phenyl-2-P-tolyl-butyronitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-4-phenyl-2-P-tolyl-butyronitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.