2-(5-((3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid
TL;DR: 2-(5-((3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid (CAS 1009770-18-6) is a chemical compound with molecular formula C21H14ClN3O3S2 and molecular weight 455.0165 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(5Z)-5-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: 2-(5-((3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, ((5Z)-5-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)acetic acid, (5-((3-(4-CHLOROPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL)METHYLENE)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-3-YL)ACETIC ACID, (5-{[3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-YL]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)acetic acid, (Z)-2-(5-((3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid
Technical Specifications
| Molecular Formula | C21H14ClN3O3S2 |
| Molecular Weight | 455.0165 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 133.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.0165 Da |
| Heavy Atoms | 30 |
| Complexity | 720.0 |
| SMILES | C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)/C=C\4/C(=O)N(C(=S)S4)CC(=O)O |
| InChIKey | POKLAPYLFQIXIW-YVLHZVERSA-N |
Chemical Property Profile of 2-(5-((3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid
Property Insights of 2-(5-((3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid
The XLogP value of 4.8 indicates that 2-(5-((3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-((3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid. Following Lipinski's Rule of Five, 2-(5-((3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(5-((3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid?
The CAS number of 2-(5-((3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid is 1009770-18-6.
What is the molecular formula of 2-(5-((3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid?
The molecular formula of 2-(5-((3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid is C21H14ClN3O3S2.
What is the molecular weight of 2-(5-((3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid?
The molecular weight of 2-(5-((3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid is 455.0165 g/mol.
Where can I buy 2-(5-((3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid?
You can request a quote for 2-(5-((3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(5-((3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid?
Yes, CoreyChem provides custom synthesis services for 2-(5-((3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.