![3-cyano-6-oxo-5-[4-(pyridin-4-yl)pyridinium-1-yl]-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridin-2-olate structure](/static/products/327/327099-44-5.png)
3-cyano-6-oxo-5-[4-(pyridin-4-yl)pyridinium-1-yl]-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridin-2-olate
TL;DR: 3-cyano-6-oxo-5-[4-(pyridin-4-yl)pyridinium-1-yl]-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridin-2-olate (CAS 327099-44-5) is a chemical compound with molecular formula C23H15F3N4O2 and molecular weight 436.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,6-dioxo-5-(4-pyridin-4-ylpyridin-1-ium-1-yl)-4-[2-(trifluoromethyl)phenyl]piperidin-3-ylidene]methylideneazanide
Also Known As: 3-cyano-6-oxo-5-[4-(pyridin-4-yl)pyridinium-1-yl]-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridin-2-olate, 5-cyano-2-oxo-3-(4-pyridin-4-ylpyridin-1-ium-1-yl)-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyridin-6-olate, 5-cyano-2-oxo-4-(2-(trifluoromethyl)phenyl)-1,2,3,4-tetrahydro-[3,1':4',4''-terpyridin]-1'-ium-6-olate
| Molecular Formula | C23H15F3N4O2 |
|---|---|
| Molecular Weight | 436.11 g/mol |
| LogP | 3.2017 |
| Topological Polar Surface Area | 85.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 436.11472 |
| Heavy Atoms | 32 |
| Complexity | 1234.1013 |
Chemical Identifiers
| CAS Number | 327099-44-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2C(C(=O)NC(=O)C2=C=[N-])[N+]3=CC=C(C=C3)C4=CC=NC=C4)C(F)(F)F |
Product Overview
3-cyano-6-oxo-5-[4-(pyridin-4-yl)pyridinium-1-yl]-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridin-2-olate (CAS 327099-44-5), with molecular formula C23H15F3N4O2 and molecular weight 436.11 g/mol. IUPAC: [2,6-dioxo-5-(4-pyridin-4-ylpyridin-1-ium-1-yl)-4-[2-(trifluoromethyl)phenyl]piperidin-3-ylidene]methylideneazanide.
Chemical Property Profile of 3-cyano-6-oxo-5-[4-(pyridin-4-yl)pyridinium-1-yl]-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridin-2-olate
Property Insights of 3-cyano-6-oxo-5-[4-(pyridin-4-yl)pyridinium-1-yl]-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridin-2-olate
The XLogP value of 3.2017 indicates that 3-cyano-6-oxo-5-[4-(pyridin-4-yl)pyridinium-1-yl]-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridin-2-olate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-cyano-6-oxo-5-[4-(pyridin-4-yl)pyridinium-1-yl]-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridin-2-olate. Following Lipinski's Rule of Five, 3-cyano-6-oxo-5-[4-(pyridin-4-yl)pyridinium-1-yl]-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridin-2-olate has 1 hydrogen bond donor(s) and 3 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 3-cyano-6-oxo-5-[4-(pyridin-4-yl)pyridinium-1-yl]-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridin-2-olate?
The CAS number of 3-cyano-6-oxo-5-[4-(pyridin-4-yl)pyridinium-1-yl]-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridin-2-olate is 327099-44-5.
What is the molecular formula of 3-cyano-6-oxo-5-[4-(pyridin-4-yl)pyridinium-1-yl]-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridin-2-olate?
The molecular formula of 3-cyano-6-oxo-5-[4-(pyridin-4-yl)pyridinium-1-yl]-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridin-2-olate is C23H15F3N4O2.
What is the molecular weight of 3-cyano-6-oxo-5-[4-(pyridin-4-yl)pyridinium-1-yl]-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridin-2-olate?
The molecular weight of 3-cyano-6-oxo-5-[4-(pyridin-4-yl)pyridinium-1-yl]-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridin-2-olate is 436.11 g/mol.
Where can I buy 3-cyano-6-oxo-5-[4-(pyridin-4-yl)pyridinium-1-yl]-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridin-2-olate?
You can request a quote for 3-cyano-6-oxo-5-[4-(pyridin-4-yl)pyridinium-1-yl]-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridin-2-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-cyano-6-oxo-5-[4-(pyridin-4-yl)pyridinium-1-yl]-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridin-2-olate?
Yes, KEHONG BIO provides custom synthesis services for 3-cyano-6-oxo-5-[4-(pyridin-4-yl)pyridinium-1-yl]-4-[2-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridin-2-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.