![3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]-3-oxo-2-pyridin-2-ylpropanenitrile structure](/static/products/5533/5533-64-2.webp)
3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]-3-oxo-2-pyridin-2-ylpropanenitrile
TL;DR: 3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]-3-oxo-2-pyridin-2-ylpropanenitrile (CAS 5533-64-2) is a chemical compound with molecular formula C21H12F3N3O3S and molecular weight 443.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]-3-oxo-2-pyridin-2-ylpropanenitrile
Also Known As: 3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]-3-oxo-2-pyridin-2-ylpropanenitrile, 3-(2-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}phenyl)-3-oxo-2-(pyridin-2-yl)propanenitrile, 3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]-3-oxo-2-pyridin-2-yl-propanenitrile
| Molecular Formula | C21H12F3N3O3S |
|---|---|
| Molecular Weight | 443.06 g/mol |
| LogP | 5.64988 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.05515 |
| Heavy Atoms | 31 |
| Complexity | 1177.7229 |
Chemical Identifiers
| CAS Number | 5533-64-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)C(C#N)C2=CC=CC=N2)SC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-] |
Product Overview
3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]-3-oxo-2-pyridin-2-ylpropanenitrile (CAS 5533-64-2), with molecular formula C21H12F3N3O3S and molecular weight 443.06 g/mol. IUPAC: 3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]-3-oxo-2-pyridin-2-ylpropanenitrile.
Chemical Property Profile of 3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]-3-oxo-2-pyridin-2-ylpropanenitrile
Property Insights of 3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]-3-oxo-2-pyridin-2-ylpropanenitrile
The XLogP value of 5.64988 indicates that 3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]-3-oxo-2-pyridin-2-ylpropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]-3-oxo-2-pyridin-2-ylpropanenitrile. Following Lipinski's Rule of Five, 3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]-3-oxo-2-pyridin-2-ylpropanenitrile has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]-3-oxo-2-pyridin-2-ylpropanenitrile?
The CAS number of 3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]-3-oxo-2-pyridin-2-ylpropanenitrile is 5533-64-2.
What is the molecular formula of 3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]-3-oxo-2-pyridin-2-ylpropanenitrile?
The molecular formula of 3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]-3-oxo-2-pyridin-2-ylpropanenitrile is C21H12F3N3O3S.
What is the molecular weight of 3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]-3-oxo-2-pyridin-2-ylpropanenitrile?
The molecular weight of 3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]-3-oxo-2-pyridin-2-ylpropanenitrile is 443.06 g/mol.
Where can I buy 3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]-3-oxo-2-pyridin-2-ylpropanenitrile?
You can request a quote for 3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]-3-oxo-2-pyridin-2-ylpropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]-3-oxo-2-pyridin-2-ylpropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylphenyl]-3-oxo-2-pyridin-2-ylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.