![(5Z)-5-[[3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-thiazolidinone structure](/static/products/956/956796-81-9.png)
(5Z)-5-[[3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-thiazolidinone
TL;DR: (5Z)-5-[[3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-thiazolidinone (CAS 956796-81-9) is a chemical compound with molecular formula C21H16N4O4S2 and molecular weight 452.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5Z)-5-[[3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-thiazolidinone, (5Z)-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-{[3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C21H16N4O4S2 |
|---|---|
| Molecular Weight | 452.06 g/mol |
| LogP | 4.335 |
| Topological Polar Surface Area | 99.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.0613 |
| Heavy Atoms | 31 |
| Complexity | 1221.3726 |
Chemical Identifiers
| CAS Number | 956796-81-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)NC(=S)S3)C4=CC=CC=C4)[N+](=O)[O-] |
Product Overview
(5Z)-5-[[3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-thiazolidinone (CAS 956796-81-9), with molecular formula C21H16N4O4S2 and molecular weight 452.06 g/mol. IUPAC: (5Z)-5-[[3-(4-ethoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (5Z)-5-[[3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-thiazolidinone
Property Insights of (5Z)-5-[[3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-thiazolidinone
The XLogP value of 4.335 indicates that (5Z)-5-[[3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-thiazolidinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.29 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-[[3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-thiazolidinone. Following Lipinski's Rule of Five, (5Z)-5-[[3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-thiazolidinone has 1 hydrogen bond donor(s) and 7 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 (5Z)-5-[[3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-thiazolidinone?
The CAS number of (5Z)-5-[[3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-thiazolidinone is 956796-81-9.
What is the molecular formula of (5Z)-5-[[3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-thiazolidinone?
The molecular formula of (5Z)-5-[[3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-thiazolidinone is C21H16N4O4S2.
What is the molecular weight of (5Z)-5-[[3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-thiazolidinone?
The molecular weight of (5Z)-5-[[3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-thiazolidinone is 452.06 g/mol.
Where can I buy (5Z)-5-[[3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-thiazolidinone?
You can request a quote for (5Z)-5-[[3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-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 (5Z)-5-[[3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-thiazolidinone?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-[[3-(4-Ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-2-thioxo-4-thiazolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.