![4,4-Dimethyl-3-oxo-2-[(4-phenoxyanilino)methylene]pentanenitrile structure](/static/products/1025/1025129-86-5.webp)
4,4-Dimethyl-3-oxo-2-[(4-phenoxyanilino)methylene]pentanenitrile
TL;DR: 4,4-Dimethyl-3-oxo-2-[(4-phenoxyanilino)methylene]pentanenitrile (CAS 1025129-86-5) is a chemical compound with molecular formula C20H20N2O2 and molecular weight 320.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-3-oxo-2-[(4-phenoxyanilino)methylidene]pentanenitrile
Also Known As: 2-(2,2-DIMETHYLPROPANOYL)-3-((4-PHENOXYPHENYL)AMINO)PROP-2-ENENITRILE, 4,4-dimethyl-3-oxo-2-[(4-phenoxyanilino)methylene]pentanenitrile, 4,4-dimethyl-3-oxo-2-[(4-phenoxyanilino)methylidene]pentanenitrile, (E)-2-(2,2-dimethylpropanoyl)-3-(4-phenoxyanilino)-2-propenenitrile, 4,4-dimethyl-3-oxo-2-[[(4-phenoxyphenyl)amino]methylidene]pentanenitrile
| Molecular Formula | C20H20N2O2 |
|---|---|
| Molecular Weight | 320.15 g/mol |
| LogP | 4.91348 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.15247 |
| Heavy Atoms | 24 |
| Complexity | 764.0264 |
Chemical Identifiers
| CAS Number | 1025129-86-5 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(=CNC1=CC=C(C=C1)OC2=CC=CC=C2)C#N |
Product Overview
4,4-Dimethyl-3-oxo-2-[(4-phenoxyanilino)methylene]pentanenitrile (CAS 1025129-86-5), with molecular formula C20H20N2O2 and molecular weight 320.15 g/mol. IUPAC: 4,4-dimethyl-3-oxo-2-[(4-phenoxyanilino)methylidene]pentanenitrile.
Chemical Property Profile of 4,4-Dimethyl-3-oxo-2-[(4-phenoxyanilino)methylene]pentanenitrile
Property Insights of 4,4-Dimethyl-3-oxo-2-[(4-phenoxyanilino)methylene]pentanenitrile
The XLogP value of 4.91348 indicates that 4,4-Dimethyl-3-oxo-2-[(4-phenoxyanilino)methylene]pentanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-Dimethyl-3-oxo-2-[(4-phenoxyanilino)methylene]pentanenitrile. Following Lipinski's Rule of Five, 4,4-Dimethyl-3-oxo-2-[(4-phenoxyanilino)methylene]pentanenitrile has 1 hydrogen bond donor(s) and 4 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-Dimethyl-3-oxo-2-[(4-phenoxyanilino)methylene]pentanenitrile?
The CAS number of 4,4-Dimethyl-3-oxo-2-[(4-phenoxyanilino)methylene]pentanenitrile is 1025129-86-5.
What is the molecular formula of 4,4-Dimethyl-3-oxo-2-[(4-phenoxyanilino)methylene]pentanenitrile?
The molecular formula of 4,4-Dimethyl-3-oxo-2-[(4-phenoxyanilino)methylene]pentanenitrile is C20H20N2O2.
What is the molecular weight of 4,4-Dimethyl-3-oxo-2-[(4-phenoxyanilino)methylene]pentanenitrile?
The molecular weight of 4,4-Dimethyl-3-oxo-2-[(4-phenoxyanilino)methylene]pentanenitrile is 320.15 g/mol.
Where can I buy 4,4-Dimethyl-3-oxo-2-[(4-phenoxyanilino)methylene]pentanenitrile?
You can request a quote for 4,4-Dimethyl-3-oxo-2-[(4-phenoxyanilino)methylene]pentanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethyl-3-oxo-2-[(4-phenoxyanilino)methylene]pentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-3-oxo-2-[(4-phenoxyanilino)methylene]pentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.