![2-[[(4-Bromo-1H-pyrazol-1-yl)methyl]thio]-4-(4-methoxyphenyl)-6-(trifluoromethyl)-3-pyridinecarbonitrile structure](/static/products/1005/1005670-64-3.webp)
2-[[(4-Bromo-1H-pyrazol-1-yl)methyl]thio]-4-(4-methoxyphenyl)-6-(trifluoromethyl)-3-pyridinecarbonitrile
TL;DR: 2-[[(4-Bromo-1H-pyrazol-1-yl)methyl]thio]-4-(4-methoxyphenyl)-6-(trifluoromethyl)-3-pyridinecarbonitrile (CAS 1005670-64-3) is a chemical compound with molecular formula C18H12BrF3N4OS and molecular weight 467.98672 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-bromopyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 2-[[(4-Bromo-1H-pyrazol-1-yl)methyl]thio]-4-(4-methoxyphenyl)-6-(trifluoromethyl)-3-pyridinecarbonitrile, 2-[(4-bromopyrazol-1-yl)methylsulfanyl]-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile, 2-{[(4-bromo-1H-pyrazol-1-yl)methyl]sulfanyl}-4-(4-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carbonitrile, 2-{[(4-bromo-1H-pyrazol-1-yl)methyl]thio}-4-(4-methoxyphenyl)-6-(trifluoromethyl)nicotinonitrile, 2-(((4-Bromo-1H-pyrazol-1-yl)methyl)thio)-4-(4-methoxyphenyl)-6-(trifluoromethyl)-3-pyridinecarbonitrile
Technical Specifications
| Molecular Formula | C18H12BrF3N4OS |
| Molecular Weight | 467.98672 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 89.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 467.98672 Da |
| Heavy Atoms | 28 |
| Complexity | 567.0 |
| SMILES | COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCN3C=C(C=N3)Br)C(F)(F)F |
| InChIKey | CHBYFYFPNVRZBP-UHFFFAOYSA-N |
Chemical Property Profile of 2-[[(4-Bromo-1H-pyrazol-1-yl)methyl]thio]-4-(4-methoxyphenyl)-6-(trifluoromethyl)-3-pyridinecarbonitrile
Property Insights of 2-[[(4-Bromo-1H-pyrazol-1-yl)methyl]thio]-4-(4-methoxyphenyl)-6-(trifluoromethyl)-3-pyridinecarbonitrile
The XLogP value of 4.7 indicates that 2-[[(4-Bromo-1H-pyrazol-1-yl)methyl]thio]-4-(4-methoxyphenyl)-6-(trifluoromethyl)-3-pyridinecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[(4-Bromo-1H-pyrazol-1-yl)methyl]thio]-4-(4-methoxyphenyl)-6-(trifluoromethyl)-3-pyridinecarbonitrile. Following Lipinski's Rule of Five, 2-[[(4-Bromo-1H-pyrazol-1-yl)methyl]thio]-4-(4-methoxyphenyl)-6-(trifluoromethyl)-3-pyridinecarbonitrile has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[[(4-Bromo-1H-pyrazol-1-yl)methyl]thio]-4-(4-methoxyphenyl)-6-(trifluoromethyl)-3-pyridinecarbonitrile?
The CAS number of 2-[[(4-Bromo-1H-pyrazol-1-yl)methyl]thio]-4-(4-methoxyphenyl)-6-(trifluoromethyl)-3-pyridinecarbonitrile is 1005670-64-3.
What is the molecular formula of 2-[[(4-Bromo-1H-pyrazol-1-yl)methyl]thio]-4-(4-methoxyphenyl)-6-(trifluoromethyl)-3-pyridinecarbonitrile?
The molecular formula of 2-[[(4-Bromo-1H-pyrazol-1-yl)methyl]thio]-4-(4-methoxyphenyl)-6-(trifluoromethyl)-3-pyridinecarbonitrile is C18H12BrF3N4OS.
What is the molecular weight of 2-[[(4-Bromo-1H-pyrazol-1-yl)methyl]thio]-4-(4-methoxyphenyl)-6-(trifluoromethyl)-3-pyridinecarbonitrile?
The molecular weight of 2-[[(4-Bromo-1H-pyrazol-1-yl)methyl]thio]-4-(4-methoxyphenyl)-6-(trifluoromethyl)-3-pyridinecarbonitrile is 467.98672 g/mol.
Where can I buy 2-[[(4-Bromo-1H-pyrazol-1-yl)methyl]thio]-4-(4-methoxyphenyl)-6-(trifluoromethyl)-3-pyridinecarbonitrile?
You can request a quote for 2-[[(4-Bromo-1H-pyrazol-1-yl)methyl]thio]-4-(4-methoxyphenyl)-6-(trifluoromethyl)-3-pyridinecarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[[(4-Bromo-1H-pyrazol-1-yl)methyl]thio]-4-(4-methoxyphenyl)-6-(trifluoromethyl)-3-pyridinecarbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-[[(4-Bromo-1H-pyrazol-1-yl)methyl]thio]-4-(4-methoxyphenyl)-6-(trifluoromethyl)-3-pyridinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.