TL;DR: (5Z)-5-{[3-(4-butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-propyl-2-thioxo-1,3-thiazolidin-4-one (CAS 1009187-55-6) is a chemical compound with molecular formula C26H26ClN3O2S2 and molecular weight 511.1155 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-[[3-(4-butoxy-3-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5Z)-5-{[3-(4-butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-propyl-2-thioxo-1,3-thiazolidin-4-one, (Z)-5-((3-(4-butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one, (5Z)-5-[[3-(4-butoxy-3-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C26H26ClN3O2S2 |
| Molecular Weight | 511.1155 g/mol |
| XLogP | 7.4 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 511.1155 Da |
| Heavy Atoms | 34 |
| Complexity | 746.0 |
| SMILES | CCCCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CCC)C4=CC=CC=C4)Cl |
| InChIKey | CIDHSNFRNOMOHL-KQWNVCNZSA-N |
The XLogP value of 7.4 indicates that (5Z)-5-{[3-(4-butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-propyl-2-thioxo-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-{[3-(4-butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-propyl-2-thioxo-1,3-thiazolidin-4-one. Following Lipinski's Rule of Five, (5Z)-5-{[3-(4-butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-propyl-2-thioxo-1,3-thiazolidin-4-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (5Z)-5-{[3-(4-butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-propyl-2-thioxo-1,3-thiazolidin-4-one is 1009187-55-6.
The molecular formula of (5Z)-5-{[3-(4-butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-propyl-2-thioxo-1,3-thiazolidin-4-one is C26H26ClN3O2S2.
The molecular weight of (5Z)-5-{[3-(4-butoxy-3-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-propyl-2-thioxo-1,3-thiazolidin-4-one is 511.1155 g/mol.
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