![(5Z)-3-(butan-2-yl)-5-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one structure](/static/products/955/955876-79-6.png)
(5Z)-3-(butan-2-yl)-5-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
TL;DR: (5Z)-3-(butan-2-yl)-5-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one (CAS 955876-79-6) is a chemical compound with molecular formula C24H22N4O4S2 and molecular weight 494.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-butan-2-yl-5-[[3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5Z)-3-(butan-2-yl)-5-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one, (5Z)-3-butan-2-yl-5-[[3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-3-sec-butyl-5-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-thioxo-1,3-thiazolidin-4-one, (Z)-3-(sec-butyl)-5-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one, 3-sec-butyl-5-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C24H22N4O4S2 |
|---|---|
| Molecular Weight | 494.11 g/mol |
| LogP | 5.4558 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 494.10825 |
| Heavy Atoms | 34 |
| Complexity | 1303.5568 |
Chemical Identifiers
| CAS Number | 955876-79-6 |
|---|---|
| SMILES | CCC(C)N1C(=O)/C(=C/C2=CN(N=C2C3=CC(=C(C=C3)OC)[N+](=O)[O-])C4=CC=CC=C4)/SC1=S |
Product Overview
(5Z)-3-(butan-2-yl)-5-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one (CAS 955876-79-6), with molecular formula C24H22N4O4S2 and molecular weight 494.11 g/mol. IUPAC: (5Z)-3-butan-2-yl-5-[[3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (5Z)-3-(butan-2-yl)-5-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
Property Insights of (5Z)-3-(butan-2-yl)-5-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one
The XLogP value of 5.4558 indicates that (5Z)-3-(butan-2-yl)-5-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one 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 (5Z)-3-(butan-2-yl)-5-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, (5Z)-3-(butan-2-yl)-5-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one 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 (5Z)-3-(butan-2-yl)-5-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one?
The CAS number of (5Z)-3-(butan-2-yl)-5-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one is 955876-79-6.
What is the molecular formula of (5Z)-3-(butan-2-yl)-5-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one?
The molecular formula of (5Z)-3-(butan-2-yl)-5-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one is C24H22N4O4S2.
What is the molecular weight of (5Z)-3-(butan-2-yl)-5-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one?
The molecular weight of (5Z)-3-(butan-2-yl)-5-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one is 494.11 g/mol.
Where can I buy (5Z)-3-(butan-2-yl)-5-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one?
You can request a quote for (5Z)-3-(butan-2-yl)-5-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5Z)-3-(butan-2-yl)-5-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-3-(butan-2-yl)-5-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-thioxo-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.