![(alphaE)-alpha-[[5-[1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl]methylene]-beta-oxo-2-furanpropanenitrile structure](/static/products/959/959581-22-7.png)
(alphaE)-alpha-[[5-[1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl]methylene]-beta-oxo-2-furanpropanenitrile
TL;DR: (alphaE)-alpha-[[5-[1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl]methylene]-beta-oxo-2-furanpropanenitrile (CAS 959581-22-7) is a chemical compound with molecular formula C17H10F3N3O2S and molecular weight 377.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(furan-2-carbonyl)-3-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]prop-2-enenitrile
Also Known As: (alphaE)-alpha-[[5-[1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl]methylene]-beta-oxo-2-furanpropanenitrile, (E)-2-(furan-2-carbonyl)-3-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]prop-2-enenitrile, (I+/-E)-I+/--[[5-[1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl]methylene]-I(2)-oxo-2-furanpropanenitrile
| Molecular Formula | C17H10F3N3O2S |
|---|---|
| Molecular Weight | 377.04 g/mol |
| LogP | 4.55028 |
| Topological Polar Surface Area | 71.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.0446 |
| Heavy Atoms | 26 |
| Complexity | 1020.7628 |
Chemical Identifiers
| CAS Number | 959581-22-7 |
|---|---|
| SMILES | CN1C(=CC(=N1)C2=CC=C(S2)/C=C(\C#N)/C(=O)C3=CC=CO3)C(F)(F)F |
Product Overview
(alphaE)-alpha-[[5-[1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl]methylene]-beta-oxo-2-furanpropanenitrile (CAS 959581-22-7), with molecular formula C17H10F3N3O2S and molecular weight 377.04 g/mol. IUPAC: (E)-2-(furan-2-carbonyl)-3-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]prop-2-enenitrile.
Chemical Property Profile of (alphaE)-alpha-[[5-[1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl]methylene]-beta-oxo-2-furanpropanenitrile
Property Insights of (alphaE)-alpha-[[5-[1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl]methylene]-beta-oxo-2-furanpropanenitrile
The XLogP value of 4.55028 indicates that (alphaE)-alpha-[[5-[1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl]methylene]-beta-oxo-2-furanpropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.82 Ų falls within the moderate polarity range, balancing permeability and solubility for (alphaE)-alpha-[[5-[1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl]methylene]-beta-oxo-2-furanpropanenitrile. Following Lipinski's Rule of Five, (alphaE)-alpha-[[5-[1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl]methylene]-beta-oxo-2-furanpropanenitrile has 0 hydrogen bond donor(s) and 5 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 (alphaE)-alpha-[[5-[1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl]methylene]-beta-oxo-2-furanpropanenitrile?
The CAS number of (alphaE)-alpha-[[5-[1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl]methylene]-beta-oxo-2-furanpropanenitrile is 959581-22-7.
What is the molecular formula of (alphaE)-alpha-[[5-[1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl]methylene]-beta-oxo-2-furanpropanenitrile?
The molecular formula of (alphaE)-alpha-[[5-[1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl]methylene]-beta-oxo-2-furanpropanenitrile is C17H10F3N3O2S.
What is the molecular weight of (alphaE)-alpha-[[5-[1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl]methylene]-beta-oxo-2-furanpropanenitrile?
The molecular weight of (alphaE)-alpha-[[5-[1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl]methylene]-beta-oxo-2-furanpropanenitrile is 377.04 g/mol.
Where can I buy (alphaE)-alpha-[[5-[1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl]methylene]-beta-oxo-2-furanpropanenitrile?
You can request a quote for (alphaE)-alpha-[[5-[1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl]methylene]-beta-oxo-2-furanpropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (alphaE)-alpha-[[5-[1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl]methylene]-beta-oxo-2-furanpropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (alphaE)-alpha-[[5-[1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-thienyl]methylene]-beta-oxo-2-furanpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.