![3-[4-[2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]sulfanyl-5-(trifluoromethyl)pyridine-2-carbonitrile structure](/static/products/3389/338968-20-0.webp)
3-[4-[2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]sulfanyl-5-(trifluoromethyl)pyridine-2-carbonitrile
TL;DR: 3-[4-[2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]sulfanyl-5-(trifluoromethyl)pyridine-2-carbonitrile (CAS 338968-20-0) is a chemical compound with molecular formula C19H9Cl2F3N4S and molecular weight 451.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]sulfanyl-5-(trifluoromethyl)pyridine-2-carbonitrile
Also Known As: 3-[4-[2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]sulfanyl-5-(trifluoromethyl)pyridine-2-carbonitrile, 3-{[4-(2,4-dichlorostyryl)-2-pyrimidinyl]sulfanyl}-5-(trifluoromethyl)-2-pyridinecarbonitrile
| Molecular Formula | C19H9Cl2F3N4S |
|---|---|
| Molecular Weight | 451.99 g/mol |
| LogP | 6.39048 |
| Topological Polar Surface Area | 62.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.9877 |
| Heavy Atoms | 29 |
| Complexity | 1127.1676 |
Chemical Identifiers
| CAS Number | 338968-20-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)C=CC2=NC(=NC=C2)SC3=C(N=CC(=C3)C(F)(F)F)C#N |
Product Overview
3-[4-[2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]sulfanyl-5-(trifluoromethyl)pyridine-2-carbonitrile (CAS 338968-20-0), with molecular formula C19H9Cl2F3N4S and molecular weight 451.99 g/mol. IUPAC: 3-[4-[2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]sulfanyl-5-(trifluoromethyl)pyridine-2-carbonitrile.
Chemical Property Profile of 3-[4-[2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]sulfanyl-5-(trifluoromethyl)pyridine-2-carbonitrile
Property Insights of 3-[4-[2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]sulfanyl-5-(trifluoromethyl)pyridine-2-carbonitrile
The XLogP value of 6.39048 indicates that 3-[4-[2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]sulfanyl-5-(trifluoromethyl)pyridine-2-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-[2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]sulfanyl-5-(trifluoromethyl)pyridine-2-carbonitrile. Following Lipinski's Rule of Five, 3-[4-[2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]sulfanyl-5-(trifluoromethyl)pyridine-2-carbonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[4-[2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]sulfanyl-5-(trifluoromethyl)pyridine-2-carbonitrile?
The CAS number of 3-[4-[2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]sulfanyl-5-(trifluoromethyl)pyridine-2-carbonitrile is 338968-20-0.
What is the molecular formula of 3-[4-[2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]sulfanyl-5-(trifluoromethyl)pyridine-2-carbonitrile?
The molecular formula of 3-[4-[2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]sulfanyl-5-(trifluoromethyl)pyridine-2-carbonitrile is C19H9Cl2F3N4S.
What is the molecular weight of 3-[4-[2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]sulfanyl-5-(trifluoromethyl)pyridine-2-carbonitrile?
The molecular weight of 3-[4-[2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]sulfanyl-5-(trifluoromethyl)pyridine-2-carbonitrile is 451.99 g/mol.
Where can I buy 3-[4-[2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]sulfanyl-5-(trifluoromethyl)pyridine-2-carbonitrile?
You can request a quote for 3-[4-[2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]sulfanyl-5-(trifluoromethyl)pyridine-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-[2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]sulfanyl-5-(trifluoromethyl)pyridine-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-[2-(2,4-dichlorophenyl)ethenyl]pyrimidin-2-yl]sulfanyl-5-(trifluoromethyl)pyridine-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.