2-(2,2-Dimethylpropanoyl)-3-((4-(trifluoromethoxy)phenyl)amino)prop-2-enenitrile
TL;DR: 2-(2,2-Dimethylpropanoyl)-3-((4-(trifluoromethoxy)phenyl)amino)prop-2-enenitrile (CAS 1025205-33-7) is a chemical compound with molecular formula C15H15F3N2O2 and molecular weight 312.11 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-(trifluoromethoxy)anilino]methylidene]pentanenitrile
Also Known As: 2-(2,2-DIMETHYLPROPANOYL)-3-((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)PROP-2-ENENITRILE, 4,4-dimethyl-3-oxo-2-[[4-(trifluoromethoxy)anilino]methylidene]pentanenitrile, 4,4-dimethyl-3-oxo-2-[[4-(trifluoromethoxy)anilino]methylene]pentanenitrile, 4,4-dimethyl-3-oxo-2-[[[4-(trifluoromethoxy)phenyl]amino]methylidene]pentanenitrile
| Molecular Formula | C15H15F3N2O2 |
|---|---|
| Molecular Weight | 312.11 g/mol |
| LogP | 4.01978 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.10855 |
| Heavy Atoms | 22 |
| Complexity | 605.6503 |
Chemical Identifiers
| CAS Number | 1025205-33-7 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(=CNC1=CC=C(C=C1)OC(F)(F)F)C#N |
Product Overview
2-(2,2-Dimethylpropanoyl)-3-((4-(trifluoromethoxy)phenyl)amino)prop-2-enenitrile (CAS 1025205-33-7), with molecular formula C15H15F3N2O2 and molecular weight 312.11 g/mol. IUPAC: 4,4-dimethyl-3-oxo-2-[[4-(trifluoromethoxy)anilino]methylidene]pentanenitrile.
Chemical Property Profile of 2-(2,2-Dimethylpropanoyl)-3-((4-(trifluoromethoxy)phenyl)amino)prop-2-enenitrile
Property Insights of 2-(2,2-Dimethylpropanoyl)-3-((4-(trifluoromethoxy)phenyl)amino)prop-2-enenitrile
The XLogP value of 4.01978 indicates that 2-(2,2-Dimethylpropanoyl)-3-((4-(trifluoromethoxy)phenyl)amino)prop-2-enenitrile 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 2-(2,2-Dimethylpropanoyl)-3-((4-(trifluoromethoxy)phenyl)amino)prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(2,2-Dimethylpropanoyl)-3-((4-(trifluoromethoxy)phenyl)amino)prop-2-enenitrile 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 2-(2,2-Dimethylpropanoyl)-3-((4-(trifluoromethoxy)phenyl)amino)prop-2-enenitrile?
The CAS number of 2-(2,2-Dimethylpropanoyl)-3-((4-(trifluoromethoxy)phenyl)amino)prop-2-enenitrile is 1025205-33-7.
What is the molecular formula of 2-(2,2-Dimethylpropanoyl)-3-((4-(trifluoromethoxy)phenyl)amino)prop-2-enenitrile?
The molecular formula of 2-(2,2-Dimethylpropanoyl)-3-((4-(trifluoromethoxy)phenyl)amino)prop-2-enenitrile is C15H15F3N2O2.
What is the molecular weight of 2-(2,2-Dimethylpropanoyl)-3-((4-(trifluoromethoxy)phenyl)amino)prop-2-enenitrile?
The molecular weight of 2-(2,2-Dimethylpropanoyl)-3-((4-(trifluoromethoxy)phenyl)amino)prop-2-enenitrile is 312.11 g/mol.
Where can I buy 2-(2,2-Dimethylpropanoyl)-3-((4-(trifluoromethoxy)phenyl)amino)prop-2-enenitrile?
You can request a quote for 2-(2,2-Dimethylpropanoyl)-3-((4-(trifluoromethoxy)phenyl)amino)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,2-Dimethylpropanoyl)-3-((4-(trifluoromethoxy)phenyl)amino)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,2-Dimethylpropanoyl)-3-((4-(trifluoromethoxy)phenyl)amino)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.