2-(4-Methoxyphenyl)-4-oxo-4-phenylbutanenitrile
TL;DR: 2-(4-Methoxyphenyl)-4-oxo-4-phenylbutanenitrile (CAS 3261-89-0) is a chemical compound with molecular formula C17H15NO2 and molecular weight 265.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)-4-oxo-4-phenylbutanenitrile
Also Known As: 2-(4-methoxyphenyl)-4-oxo-4-phenylbutanenitrile, J2.427.367I, 2-(4-methoxyphenyl)-4-phenyl-4-oxobutyronitrile, 2-(4-Methoxyphenyl)-4-phenyl-4-oxobutanenitrile, 1-Phenyl-3-(4-methoxyphenyl)-3-cyano-1-propanone
| Molecular Formula | C17H15NO2 |
|---|---|
| Molecular Weight | 265.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 265.1103 |
| Heavy Atoms | 20 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 3261-89-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C#N |
| InChIKey | IVFDCPLFZOXQFJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Methoxyphenyl)-4-oxo-4-phenylbutanenitrile (CAS 3261-89-0), with molecular formula C17H15NO2 and molecular weight 265.11 g/mol. IUPAC: 2-(4-methoxyphenyl)-4-oxo-4-phenylbutanenitrile.
Chemical Property Profile of 2-(4-Methoxyphenyl)-4-oxo-4-phenylbutanenitrile
Property Insights of 2-(4-Methoxyphenyl)-4-oxo-4-phenylbutanenitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methoxyphenyl)-4-oxo-4-phenylbutanenitrile. With a topological polar surface area (TPSA) of 50.1 Ų, 2-(4-Methoxyphenyl)-4-oxo-4-phenylbutanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methoxyphenyl)-4-oxo-4-phenylbutanenitrile has 0 hydrogen bond donor(s) and 3 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-Methoxyphenyl)-4-oxo-4-phenylbutanenitrile?
The CAS number of 2-(4-Methoxyphenyl)-4-oxo-4-phenylbutanenitrile is 3261-89-0.
What is the molecular formula of 2-(4-Methoxyphenyl)-4-oxo-4-phenylbutanenitrile?
The molecular formula of 2-(4-Methoxyphenyl)-4-oxo-4-phenylbutanenitrile is C17H15NO2.
What is the molecular weight of 2-(4-Methoxyphenyl)-4-oxo-4-phenylbutanenitrile?
The molecular weight of 2-(4-Methoxyphenyl)-4-oxo-4-phenylbutanenitrile is 265.11 g/mol.
Where can I buy 2-(4-Methoxyphenyl)-4-oxo-4-phenylbutanenitrile?
You can request a quote for 2-(4-Methoxyphenyl)-4-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-Methoxyphenyl)-4-oxo-4-phenylbutanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methoxyphenyl)-4-oxo-4-phenylbutanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.