![2-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile structure](/static/products/1005/1005610-49-0.webp)
2-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile
TL;DR: 2-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile (CAS 1005610-49-0) is a chemical compound with molecular formula C17H10F3N5O2S and molecular weight 405.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile
Also Known As: 2-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile, 2-{[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]SULFANYL}-4-PHENYL-6-(TRIFLUOROMETHYL)-3-PYRIDYL CYANIDE, 2-{[(4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile
| Molecular Formula | C17H10F3N5O2S |
|---|---|
| Molecular Weight | 405.05 g/mol |
| LogP | 4.49358 |
| Topological Polar Surface Area | 97.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.05072 |
| Heavy Atoms | 28 |
| Complexity | 1060.8901 |
Chemical Identifiers
| CAS Number | 1005610-49-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCN3C=C(C=N3)[N+](=O)[O-])C(F)(F)F |
Product Overview
2-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile (CAS 1005610-49-0), with molecular formula C17H10F3N5O2S and molecular weight 405.05 g/mol. IUPAC: 2-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile.
Chemical Property Profile of 2-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile
Property Insights of 2-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile
The XLogP value of 4.49358 indicates that 2-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 6 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-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The CAS number of 2-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile is 1005610-49-0.
What is the molecular formula of 2-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The molecular formula of 2-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile is C17H10F3N5O2S.
What is the molecular weight of 2-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
The molecular weight of 2-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile is 405.05 g/mol.
Where can I buy 2-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
You can request a quote for 2-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-nitropyrazol-1-yl)methylsulfanyl]-4-phenyl-6-(trifluoromethyl)pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.