![3-Butyl-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-5-yl]methylene]-2-thioxo-4-thiazolidinone structure](/static/products/1007/1007520-66-2.webp)
3-Butyl-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-5-yl]methylene]-2-thioxo-4-thiazolidinone
TL;DR: 3-Butyl-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-5-yl]methylene]-2-thioxo-4-thiazolidinone (CAS 1007520-66-2) is a chemical compound with molecular formula C25H24N4O4S2 and molecular weight 508.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenylpyrazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-Butyl-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-5-yl]methylene]-2-thioxo-4-thiazolidinone, 3-butyl-5-[[5-(4-ethoxy-3-nitrophenyl)-2-phenylpyrazol-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 3-Butyl-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-5-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C25H24N4O4S2 |
|---|---|
| Molecular Weight | 508.12 g/mol |
| LogP | 5.8475 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 508.1239 |
| Heavy Atoms | 35 |
| Complexity | 1304.0505 |
Chemical Identifiers
| CAS Number | 1007520-66-2 |
|---|---|
| SMILES | CCCCN1C(=O)C(=CC2=CC(=NN2C3=CC=CC=C3)C4=CC(=C(C=C4)OCC)[N+](=O)[O-])SC1=S |
Product Overview
3-Butyl-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-5-yl]methylene]-2-thioxo-4-thiazolidinone (CAS 1007520-66-2), with molecular formula C25H24N4O4S2 and molecular weight 508.12 g/mol. IUPAC: 3-butyl-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenylpyrazol-5-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-Butyl-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-5-yl]methylene]-2-thioxo-4-thiazolidinone
Property Insights of 3-Butyl-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-5-yl]methylene]-2-thioxo-4-thiazolidinone
The XLogP value of 5.8475 indicates that 3-Butyl-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-5-yl]methylene]-2-thioxo-4-thiazolidinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Butyl-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-5-yl]methylene]-2-thioxo-4-thiazolidinone. Following Lipinski's Rule of Five, 3-Butyl-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-5-yl]methylene]-2-thioxo-4-thiazolidinone has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Butyl-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-5-yl]methylene]-2-thioxo-4-thiazolidinone?
The CAS number of 3-Butyl-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-5-yl]methylene]-2-thioxo-4-thiazolidinone is 1007520-66-2.
What is the molecular formula of 3-Butyl-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-5-yl]methylene]-2-thioxo-4-thiazolidinone?
The molecular formula of 3-Butyl-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-5-yl]methylene]-2-thioxo-4-thiazolidinone is C25H24N4O4S2.
What is the molecular weight of 3-Butyl-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-5-yl]methylene]-2-thioxo-4-thiazolidinone?
The molecular weight of 3-Butyl-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-5-yl]methylene]-2-thioxo-4-thiazolidinone is 508.12 g/mol.
Where can I buy 3-Butyl-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-5-yl]methylene]-2-thioxo-4-thiazolidinone?
You can request a quote for 3-Butyl-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-5-yl]methylene]-2-thioxo-4-thiazolidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butyl-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-5-yl]methylene]-2-thioxo-4-thiazolidinone?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyl-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-5-yl]methylene]-2-thioxo-4-thiazolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.