TL;DR: C25H25N3O5S3 (CAS 1009190-44-6) is a chemical compound with molecular formula C25H25N3O5S3 and molecular weight 543.09564 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(5Z)-5-[[3-(3-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid
Also Known As: 2-[(5Z)-5-{[3-(3-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]ethanesulfonic acid, (Z)-2-(5-((3-(3-butoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)ethanesulfonic acid, 2-[(5Z)-5-[[3-(3-butoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethanesulfonic acid, C25H25N3O5S3
| Molecular Formula | C25H25N3O5S3 |
| Molecular Weight | 543.09564 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 168.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 543.09564 Da |
| Heavy Atoms | 36 |
| Complexity | 916.0 |
| SMILES | CCCCOC1=CC=CC(=C1)C2=NN(C=C2/C=C\3/C(=O)N(C(=S)S3)CCS(=O)(=O)O)C4=CC=CC=C4 |
| InChIKey | GZNKPQUPESUYSY-JWGURIENSA-N |
The XLogP value of 4.7 indicates that C25H25N3O5S3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 168.0 Ų indicates high polarity, suggesting C25H25N3O5S3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C25H25N3O5S3 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of C25H25N3O5S3 is 1009190-44-6.
The molecular formula of C25H25N3O5S3 is C25H25N3O5S3.
The molecular weight of C25H25N3O5S3 is 543.09564 g/mol.
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