![2-[[5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl]methylene]propanedinitrile structure](/static/products/959/959575-46-3.png)
2-[[5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl]methylene]propanedinitrile
TL;DR: 2-[[5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl]methylene]propanedinitrile (CAS 959575-46-3) is a chemical compound with molecular formula C13H7F3N4S and molecular weight 308.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]methylidene]propanedinitrile
Also Known As: 2-[[5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl]methylene]propanedinitrile, 2-[[5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methylidene]propanedinitrile, ({5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]thiophen-2-yl}methylidene)propanedinitrile
| Molecular Formula | C13H7F3N4S |
|---|---|
| Molecular Weight | 308.03 g/mol |
| LogP | 3.59796 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.03436 |
| Heavy Atoms | 21 |
| Complexity | 767.66907 |
Chemical Identifiers
| CAS Number | 959575-46-3 |
|---|---|
| SMILES | CN1C(=CC(=N1)C(F)(F)F)C2=CC=C(S2)C=C(C#N)C#N |
Product Overview
2-[[5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl]methylene]propanedinitrile (CAS 959575-46-3), with molecular formula C13H7F3N4S and molecular weight 308.03 g/mol. IUPAC: 2-[[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]methylidene]propanedinitrile.
Chemical Property Profile of 2-[[5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl]methylene]propanedinitrile
Property Insights of 2-[[5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl]methylene]propanedinitrile
The XLogP value of 3.59796 indicates that 2-[[5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl]methylene]propanedinitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl]methylene]propanedinitrile. Following Lipinski's Rule of Five, 2-[[5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl]methylene]propanedinitrile has 0 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-[[5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl]methylene]propanedinitrile?
The CAS number of 2-[[5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl]methylene]propanedinitrile is 959575-46-3.
What is the molecular formula of 2-[[5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl]methylene]propanedinitrile?
The molecular formula of 2-[[5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl]methylene]propanedinitrile is C13H7F3N4S.
What is the molecular weight of 2-[[5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl]methylene]propanedinitrile?
The molecular weight of 2-[[5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl]methylene]propanedinitrile is 308.03 g/mol.
Where can I buy 2-[[5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl]methylene]propanedinitrile?
You can request a quote for 2-[[5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl]methylene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl]methylene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl]methylene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.