5-((3-(4-Methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methylbenzyl)-2-thioxothiazolidin-4-one
TL;DR: 5-((3-(4-Methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methylbenzyl)-2-thioxothiazolidin-4-one (CAS 623934-75-8) is a chemical compound with molecular formula C28H22N4O4S2 and molecular weight 542.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 5-((3-(4-Methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methylbenzyl)-2-thioxothiazolidin-4-one, (5Z)-5-{[3-(4-METHOXY-3-NITROPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-3-(4-METHYLBENZYL)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE, (5Z)-5-((3-(4-Methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-3-(4-methylbenzyl)-2-thioxo-1,3-thiazolidin-4-one, (5Z)-5-[[3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-(4-methylbenzyl)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C28H22N4O4S2 |
|---|---|
| Molecular Weight | 542.11 g/mol |
| LogP | 6.16592 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 542.1083 |
| Heavy Atoms | 38 |
| Complexity | 1580.4038 |
Chemical Identifiers
| CAS Number | 623934-75-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CN(N=C3C4=CC(=C(C=C4)OC)[N+](=O)[O-])C5=CC=CC=C5)/SC2=S |
Product Overview
5-((3-(4-Methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methylbenzyl)-2-thioxothiazolidin-4-one (CAS 623934-75-8), with molecular formula C28H22N4O4S2 and molecular weight 542.11 g/mol. IUPAC: (5Z)-5-[[3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 5-((3-(4-Methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methylbenzyl)-2-thioxothiazolidin-4-one
Property Insights of 5-((3-(4-Methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methylbenzyl)-2-thioxothiazolidin-4-one
The XLogP value of 6.16592 indicates that 5-((3-(4-Methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methylbenzyl)-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 5-((3-(4-Methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methylbenzyl)-2-thioxothiazolidin-4-one. Following Lipinski's Rule of Five, 5-((3-(4-Methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methylbenzyl)-2-thioxothiazolidin-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 5-((3-(4-Methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methylbenzyl)-2-thioxothiazolidin-4-one?
The CAS number of 5-((3-(4-Methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methylbenzyl)-2-thioxothiazolidin-4-one is 623934-75-8.
What is the molecular formula of 5-((3-(4-Methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methylbenzyl)-2-thioxothiazolidin-4-one?
The molecular formula of 5-((3-(4-Methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methylbenzyl)-2-thioxothiazolidin-4-one is C28H22N4O4S2.
What is the molecular weight of 5-((3-(4-Methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methylbenzyl)-2-thioxothiazolidin-4-one?
The molecular weight of 5-((3-(4-Methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methylbenzyl)-2-thioxothiazolidin-4-one is 542.11 g/mol.
Where can I buy 5-((3-(4-Methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methylbenzyl)-2-thioxothiazolidin-4-one?
You can request a quote for 5-((3-(4-Methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methylbenzyl)-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 5-((3-(4-Methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methylbenzyl)-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-((3-(4-Methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methylbenzyl)-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.