TL;DR: (Z)-2-(5-((5-(4-nitrophenyl)furan-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid (CAS 1427538-47-3) is a chemical compound with molecular formula C19H16N2O6S2 and molecular weight 432.04498 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(5Z)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid
Also Known As: (Z)-2-(5-((5-(4-nitrophenyl)furan-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid, 2-[(5Z)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pentanoic acid
| Molecular Formula | C19H16N2O6S2 |
| Molecular Weight | 432.04498 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 174.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.04498 Da |
| Heavy Atoms | 29 |
| Complexity | 714.0 |
| SMILES | CCCC(C(=O)O)N1C(=O)/C(=C/C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])/SC1=S |
| InChIKey | GODLRAGMYVGEGJ-YBEGLDIGSA-N |
The XLogP value of 4.4 indicates that (Z)-2-(5-((5-(4-nitrophenyl)furan-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 174.0 Ų indicates high polarity, suggesting (Z)-2-(5-((5-(4-nitrophenyl)furan-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Z)-2-(5-((5-(4-nitrophenyl)furan-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (Z)-2-(5-((5-(4-nitrophenyl)furan-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid is 1427538-47-3.
The molecular formula of (Z)-2-(5-((5-(4-nitrophenyl)furan-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid is C19H16N2O6S2.
The molecular weight of (Z)-2-(5-((5-(4-nitrophenyl)furan-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)pentanoic acid is 432.04498 g/mol.
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