TL;DR: (5Z)-3-CYCLOPENTYL-5-{[3-(4-ISOBUTOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-2-THIOXO-1,3-THIAZOLIDIN-4-ONE (CAS 624724-28-3) is a chemical compound with molecular formula C28H29N3O2S2 and molecular weight 503.1701 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-3-cyclopentyl-5-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (5Z)-3-CYCLOPENTYL-5-{[3-(4-ISOBUTOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-2-THIOXO-1,3-THIAZOLIDIN-4-ONE, (5Z)-3-CYCLOPENTYL-5-((3-(4-ISOBUTOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL)METHYLENE)-2-THIOXO-1,3-THIAZOLIDIN-4-ONE, (5Z)-3-cyclopentyl-5-({3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)-2-thioxo-1,3-thiazolidin-4-one, (5Z)-3-cyclopentyl-5-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 3-Cyclopentyl-5-((3-(4-isobutoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one
| Molecular Formula | C28H29N3O2S2 |
| Molecular Weight | 503.1701 g/mol |
| XLogP | 7.2 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 503.1701 Da |
| Heavy Atoms | 35 |
| Complexity | 783.0 |
| SMILES | CC(C)COC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)C4CCCC4)C5=CC=CC=C5 |
| InChIKey | VKEQZIBGGDBOLD-XYGWBWBKSA-N |
The XLogP value of 7.2 indicates that (5Z)-3-CYCLOPENTYL-5-{[3-(4-ISOBUTOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-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)-3-CYCLOPENTYL-5-{[3-(4-ISOBUTOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-2-THIOXO-1,3-THIAZOLIDIN-4-ONE. Following Lipinski's Rule of Five, (5Z)-3-CYCLOPENTYL-5-{[3-(4-ISOBUTOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-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)-3-CYCLOPENTYL-5-{[3-(4-ISOBUTOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-2-THIOXO-1,3-THIAZOLIDIN-4-ONE is 624724-28-3.
The molecular formula of (5Z)-3-CYCLOPENTYL-5-{[3-(4-ISOBUTOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-2-THIOXO-1,3-THIAZOLIDIN-4-ONE is C28H29N3O2S2.
The molecular weight of (5Z)-3-CYCLOPENTYL-5-{[3-(4-ISOBUTOXYPHENYL)-1-PHENYL-1H-PYRAZOL-4-YL]METHYLENE}-2-THIOXO-1,3-THIAZOLIDIN-4-ONE is 503.1701 g/mol.
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