(Z)-2-hydroxy-4-(5-(4-(methoxycarbonyl)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid
TL;DR: (Z)-2-hydroxy-4-(5-(4-(methoxycarbonyl)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid (CAS 853904-17-3) is a chemical compound with molecular formula C19H13NO6S2 and molecular weight 415.01843 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxy-4-[(5Z)-5-[(4-methoxycarbonylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
Also Known As: (Z)-2-hydroxy-4-(5-(4-(methoxycarbonyl)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid, F1951-0348, 2-hydroxy-4-[(5Z)-5-[(4-methoxycarbonylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid, 2-HYDROXY-4-[(5Z)-5-{[4-(METHOXYCARBONYL)PHENYL]METHYLIDENE}-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]BENZOIC ACID, 2-hydroxy-4-(5-{[4-(methoxycarbonyl)phenyl]methylene}-4-oxo-2-thioxo(1,3-thiaz olidin-3-yl))benzoic acid
Technical Specifications
| Molecular Formula | C19H13NO6S2 |
| Molecular Weight | 415.01843 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 162.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.01843 Da |
| Heavy Atoms | 28 |
| Complexity | 701.0 |
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)C3=CC(=C(C=C3)C(=O)O)O |
| InChIKey | YANZTHNNNORSGN-NVNXTCNLSA-N |
Chemical Property Profile of (Z)-2-hydroxy-4-(5-(4-(methoxycarbonyl)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid
Property Insights of (Z)-2-hydroxy-4-(5-(4-(methoxycarbonyl)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid
The XLogP value of 4.1 indicates that (Z)-2-hydroxy-4-(5-(4-(methoxycarbonyl)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.0 Ų indicates high polarity, suggesting (Z)-2-hydroxy-4-(5-(4-(methoxycarbonyl)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Z)-2-hydroxy-4-(5-(4-(methoxycarbonyl)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (Z)-2-hydroxy-4-(5-(4-(methoxycarbonyl)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid?
The CAS number of (Z)-2-hydroxy-4-(5-(4-(methoxycarbonyl)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid is 853904-17-3.
What is the molecular formula of (Z)-2-hydroxy-4-(5-(4-(methoxycarbonyl)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid?
The molecular formula of (Z)-2-hydroxy-4-(5-(4-(methoxycarbonyl)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid is C19H13NO6S2.
What is the molecular weight of (Z)-2-hydroxy-4-(5-(4-(methoxycarbonyl)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid?
The molecular weight of (Z)-2-hydroxy-4-(5-(4-(methoxycarbonyl)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid is 415.01843 g/mol.
Where can I buy (Z)-2-hydroxy-4-(5-(4-(methoxycarbonyl)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid?
You can request a quote for (Z)-2-hydroxy-4-(5-(4-(methoxycarbonyl)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (Z)-2-hydroxy-4-(5-(4-(methoxycarbonyl)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for (Z)-2-hydroxy-4-(5-(4-(methoxycarbonyl)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.