![4,4-Dimethyl-3-oxo-2-[[3-(trifluoromethyl)phenyl]methylene]pentanenitrile structure](/static/products/3916/391649-97-1.webp)
4,4-Dimethyl-3-oxo-2-[[3-(trifluoromethyl)phenyl]methylene]pentanenitrile
TL;DR: 4,4-Dimethyl-3-oxo-2-[[3-(trifluoromethyl)phenyl]methylene]pentanenitrile (CAS 391649-97-1) is a chemical compound with molecular formula C15H14F3NO and molecular weight 281.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-3-oxo-2-[[3-(trifluoromethyl)phenyl]methylidene]pentanenitrile
Also Known As: 2-(2,2-DIMETHYLPROPANOYL)-3-(3-(TRIFLUOROMETHYL)PHENYL)PROP-2-ENENITRILE, 4,4-dimethyl-3-oxo-2-[[3-(trifluoromethyl)phenyl]methylene]pentanenitrile, 4,4-dimethyl-3-oxo-2-[[3-(trifluoromethyl)phenyl]methylidene]pentanenitrile
| Molecular Formula | C15H14F3NO |
|---|---|
| Molecular Weight | 281.10 g/mol |
| LogP | 4.22758 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.10275 |
| Heavy Atoms | 20 |
| Complexity | 586.3618 |
Chemical Identifiers
| CAS Number | 391649-97-1 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(=CC1=CC(=CC=C1)C(F)(F)F)C#N |
Product Overview
4,4-Dimethyl-3-oxo-2-[[3-(trifluoromethyl)phenyl]methylene]pentanenitrile (CAS 391649-97-1), with molecular formula C15H14F3NO and molecular weight 281.10 g/mol. IUPAC: 4,4-dimethyl-3-oxo-2-[[3-(trifluoromethyl)phenyl]methylidene]pentanenitrile.
Chemical Property Profile of 4,4-Dimethyl-3-oxo-2-[[3-(trifluoromethyl)phenyl]methylene]pentanenitrile
Property Insights of 4,4-Dimethyl-3-oxo-2-[[3-(trifluoromethyl)phenyl]methylene]pentanenitrile
The XLogP value of 4.22758 indicates that 4,4-Dimethyl-3-oxo-2-[[3-(trifluoromethyl)phenyl]methylene]pentanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.86 Ų, 4,4-Dimethyl-3-oxo-2-[[3-(trifluoromethyl)phenyl]methylene]pentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethyl-3-oxo-2-[[3-(trifluoromethyl)phenyl]methylene]pentanenitrile 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 4,4-Dimethyl-3-oxo-2-[[3-(trifluoromethyl)phenyl]methylene]pentanenitrile?
The CAS number of 4,4-Dimethyl-3-oxo-2-[[3-(trifluoromethyl)phenyl]methylene]pentanenitrile is 391649-97-1.
What is the molecular formula of 4,4-Dimethyl-3-oxo-2-[[3-(trifluoromethyl)phenyl]methylene]pentanenitrile?
The molecular formula of 4,4-Dimethyl-3-oxo-2-[[3-(trifluoromethyl)phenyl]methylene]pentanenitrile is C15H14F3NO.
What is the molecular weight of 4,4-Dimethyl-3-oxo-2-[[3-(trifluoromethyl)phenyl]methylene]pentanenitrile?
The molecular weight of 4,4-Dimethyl-3-oxo-2-[[3-(trifluoromethyl)phenyl]methylene]pentanenitrile is 281.10 g/mol.
Where can I buy 4,4-Dimethyl-3-oxo-2-[[3-(trifluoromethyl)phenyl]methylene]pentanenitrile?
You can request a quote for 4,4-Dimethyl-3-oxo-2-[[3-(trifluoromethyl)phenyl]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-[[3-(trifluoromethyl)phenyl]methylene]pentanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethyl-3-oxo-2-[[3-(trifluoromethyl)phenyl]methylene]pentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.