(E)-3-ethyl-5-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one
TL;DR: (E)-3-ethyl-5-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one (CAS 371776-32-8) is a chemical compound with molecular formula C22H18N4O4S2 and molecular weight 466.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-3-ethyl-5-[[3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (E)-3-ethyl-5-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one, F0383-0109, (5E)-3-ethyl-5-[[3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (5E)-3-ethyl-5-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C22H18N4O4S2 |
|---|---|
| Molecular Weight | 466.08 g/mol |
| LogP | 4.6772 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.07693 |
| Heavy Atoms | 32 |
| Complexity | 1254.0717 |
Chemical Identifiers
| CAS Number | 371776-32-8 |
|---|---|
| SMILES | CCN1C(=O)/C(=C\C2=CN(N=C2C3=CC(=C(C=C3)OC)[N+](=O)[O-])C4=CC=CC=C4)/SC1=S |
Product Overview
(E)-3-ethyl-5-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one (CAS 371776-32-8), with molecular formula C22H18N4O4S2 and molecular weight 466.08 g/mol. IUPAC: (5E)-3-ethyl-5-[[3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (E)-3-ethyl-5-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one
Property Insights of (E)-3-ethyl-5-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one
The XLogP value of 4.6772 indicates that (E)-3-ethyl-5-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-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 (E)-3-ethyl-5-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one. Following Lipinski's Rule of Five, (E)-3-ethyl-5-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one has 0 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 (E)-3-ethyl-5-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one?
The CAS number of (E)-3-ethyl-5-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one is 371776-32-8.
What is the molecular formula of (E)-3-ethyl-5-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one?
The molecular formula of (E)-3-ethyl-5-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one is C22H18N4O4S2.
What is the molecular weight of (E)-3-ethyl-5-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one?
The molecular weight of (E)-3-ethyl-5-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one is 466.08 g/mol.
Where can I buy (E)-3-ethyl-5-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one?
You can request a quote for (E)-3-ethyl-5-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-ethyl-5-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-ethyl-5-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.