3-Methyl-4-(5-nitro-2-(pyridin-2-ylthio)benzylidene)-1-Phenyl-1H-pyrazol-5(4H)-one
TL;DR: 3-Methyl-4-(5-nitro-2-(pyridin-2-ylthio)benzylidene)-1-Phenyl-1H-pyrazol-5(4H)-one (CAS 1024724-31-9) is a chemical compound with molecular formula C22H16N4O3S and molecular weight 416.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-[(5-nitro-2-pyridin-2-ylsulfanylphenyl)methylidene]-2-phenylpyrazol-3-one
Also Known As: 3-Methyl-4-(5-nitro-2-(pyridin-2-ylthio)benzylidene)-1-Phenyl-1H-pyrazol-5(4H)-one, 5-methyl-4-[(5-nitro-2-pyridin-2-ylsulfanyl-phenyl)methylidene]-2-phenyl-pyrazol-3-one, 5-methyl-4-[(5-nitro-2-pyridin-2-ylsulfanylphenyl)methylidene]-2-phenylpyrazol-3-one, 5-Methyl-4-({5-nitro-2-[(pyridin-2-yl)sulfanyl]phenyl}methylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C22H16N4O3S |
|---|---|
| Molecular Weight | 416.09 g/mol |
| LogP | 4.9471 |
| Topological Polar Surface Area | 88.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.0943 |
| Heavy Atoms | 30 |
| Complexity | 1177.5017 |
Chemical Identifiers
| CAS Number | 1024724-31-9 |
|---|---|
| SMILES | CC1=NN(C(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=CC=N3)C4=CC=CC=C4 |
Product Overview
3-Methyl-4-(5-nitro-2-(pyridin-2-ylthio)benzylidene)-1-Phenyl-1H-pyrazol-5(4H)-one (CAS 1024724-31-9), with molecular formula C22H16N4O3S and molecular weight 416.09 g/mol. IUPAC: 5-methyl-4-[(5-nitro-2-pyridin-2-ylsulfanylphenyl)methylidene]-2-phenylpyrazol-3-one.
Chemical Property Profile of 3-Methyl-4-(5-nitro-2-(pyridin-2-ylthio)benzylidene)-1-Phenyl-1H-pyrazol-5(4H)-one
Property Insights of 3-Methyl-4-(5-nitro-2-(pyridin-2-ylthio)benzylidene)-1-Phenyl-1H-pyrazol-5(4H)-one
The XLogP value of 4.9471 indicates that 3-Methyl-4-(5-nitro-2-(pyridin-2-ylthio)benzylidene)-1-Phenyl-1H-pyrazol-5(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-4-(5-nitro-2-(pyridin-2-ylthio)benzylidene)-1-Phenyl-1H-pyrazol-5(4H)-one. Following Lipinski's Rule of Five, 3-Methyl-4-(5-nitro-2-(pyridin-2-ylthio)benzylidene)-1-Phenyl-1H-pyrazol-5(4H)-one 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 3-Methyl-4-(5-nitro-2-(pyridin-2-ylthio)benzylidene)-1-Phenyl-1H-pyrazol-5(4H)-one?
The CAS number of 3-Methyl-4-(5-nitro-2-(pyridin-2-ylthio)benzylidene)-1-Phenyl-1H-pyrazol-5(4H)-one is 1024724-31-9.
What is the molecular formula of 3-Methyl-4-(5-nitro-2-(pyridin-2-ylthio)benzylidene)-1-Phenyl-1H-pyrazol-5(4H)-one?
The molecular formula of 3-Methyl-4-(5-nitro-2-(pyridin-2-ylthio)benzylidene)-1-Phenyl-1H-pyrazol-5(4H)-one is C22H16N4O3S.
What is the molecular weight of 3-Methyl-4-(5-nitro-2-(pyridin-2-ylthio)benzylidene)-1-Phenyl-1H-pyrazol-5(4H)-one?
The molecular weight of 3-Methyl-4-(5-nitro-2-(pyridin-2-ylthio)benzylidene)-1-Phenyl-1H-pyrazol-5(4H)-one is 416.09 g/mol.
Where can I buy 3-Methyl-4-(5-nitro-2-(pyridin-2-ylthio)benzylidene)-1-Phenyl-1H-pyrazol-5(4H)-one?
You can request a quote for 3-Methyl-4-(5-nitro-2-(pyridin-2-ylthio)benzylidene)-1-Phenyl-1H-pyrazol-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-(5-nitro-2-(pyridin-2-ylthio)benzylidene)-1-Phenyl-1H-pyrazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-(5-nitro-2-(pyridin-2-ylthio)benzylidene)-1-Phenyl-1H-pyrazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.