2-(5-((3-(4-((4-Chlorobenzyl)oxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)ethane-1-sulfonic acid
TL;DR: 2-(5-((3-(4-((4-Chlorobenzyl)oxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)ethane-1-sulfonic acid (CAS 956189-91-6) is a chemical compound with molecular formula C28H22ClN3O5S3 and molecular weight 611.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
Also Known As: 2-(5-((3-(4-((4-Chlorobenzyl)oxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)ethane-1-sulfonic acid, 2-[(5Z)-5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid, 2-[5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenyl-4-pyrazolyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]ethanesulfonic acid, 2-[5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
| Molecular Formula | C28H22ClN3O5S3 |
|---|---|
| Molecular Weight | 611.04 g/mol |
| LogP | 5.8607 |
| Topological Polar Surface Area | 101.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 611.041 |
| Heavy Atoms | 40 |
| Complexity | 1687.4747 |
Chemical Identifiers
| CAS Number | 956189-91-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl)C=C5C(=O)N(C(=S)S5)CCS(=O)(=O)O |
Product Overview
2-(5-((3-(4-((4-Chlorobenzyl)oxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)ethane-1-sulfonic acid (CAS 956189-91-6), with molecular formula C28H22ClN3O5S3 and molecular weight 611.04 g/mol. IUPAC: 2-[5-[[3-[4-[(4-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid.
Chemical Property Profile of 2-(5-((3-(4-((4-Chlorobenzyl)oxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)ethane-1-sulfonic acid
Property Insights of 2-(5-((3-(4-((4-Chlorobenzyl)oxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)ethane-1-sulfonic acid
The XLogP value of 5.8607 indicates that 2-(5-((3-(4-((4-Chlorobenzyl)oxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)ethane-1-sulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-((3-(4-((4-Chlorobenzyl)oxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)ethane-1-sulfonic acid. Following Lipinski's Rule of Five, 2-(5-((3-(4-((4-Chlorobenzyl)oxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)ethane-1-sulfonic acid has 1 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 2-(5-((3-(4-((4-Chlorobenzyl)oxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)ethane-1-sulfonic acid?
The CAS number of 2-(5-((3-(4-((4-Chlorobenzyl)oxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)ethane-1-sulfonic acid is 956189-91-6.
What is the molecular formula of 2-(5-((3-(4-((4-Chlorobenzyl)oxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)ethane-1-sulfonic acid?
The molecular formula of 2-(5-((3-(4-((4-Chlorobenzyl)oxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)ethane-1-sulfonic acid is C28H22ClN3O5S3.
What is the molecular weight of 2-(5-((3-(4-((4-Chlorobenzyl)oxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)ethane-1-sulfonic acid?
The molecular weight of 2-(5-((3-(4-((4-Chlorobenzyl)oxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)ethane-1-sulfonic acid is 611.04 g/mol.
Where can I buy 2-(5-((3-(4-((4-Chlorobenzyl)oxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)ethane-1-sulfonic acid?
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Does KEHONG BIO offer custom synthesis for 2-(5-((3-(4-((4-Chlorobenzyl)oxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)ethane-1-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-((3-(4-((4-Chlorobenzyl)oxy)phenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)ethane-1-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.