TL;DR: [4-(Toluene-4-sulfonyl)-piperazin-1-yl]-acetic acid [(E)-3-phenyl-prop-2-en-(E)-ylidene]-hydrazide (CAS 488731-43-7) is a chemical compound with molecular formula C22H26N4O3S and molecular weight 426.17258 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Also Known As: [4-(Toluene-4-sulfonyl)-piperazin-1-yl]-acetic acid [(E)-3-phenyl-prop-2-en-(E)-ylidene]-hydrazide|2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide|2-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}-N'-[(1Z,2E)-3-phenylprop-2-en-1-ylidene]acetohydrazide|N-((1Z,3E)-4-phenyl-1-azabuta-1,3-dienyl)-2-{4-[(4-methylphenyl)sulfonyl]piper azinyl}acetamide|STK107095|ST50057866
| Molecular Formula | C22H26N4O3S |
| Molecular Weight | 426.17258 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 90.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.17258 Da |
| Heavy Atoms | 30 |
| Complexity | 694.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N/N=C\C=C\C3=CC=CC=C3 |
| InChIKey | CULXIQPPWCUDLU-VPCDGCQQSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-(Toluene-4-sulfonyl)-piperazin-1-yl]-acetic acid [(E)-3-phenyl-prop-2-en-(E)-ylidene]-hydrazide. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(Toluene-4-sulfonyl)-piperazin-1-yl]-acetic acid [(E)-3-phenyl-prop-2-en-(E)-ylidene]-hydrazide. Following Lipinski's Rule of Five, [4-(Toluene-4-sulfonyl)-piperazin-1-yl]-acetic acid [(E)-3-phenyl-prop-2-en-(E)-ylidene]-hydrazide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of [4-(Toluene-4-sulfonyl)-piperazin-1-yl]-acetic acid [(E)-3-phenyl-prop-2-en-(E)-ylidene]-hydrazide is 488731-43-7.
The molecular formula of [4-(Toluene-4-sulfonyl)-piperazin-1-yl]-acetic acid [(E)-3-phenyl-prop-2-en-(E)-ylidene]-hydrazide is C22H26N4O3S.
The molecular weight of [4-(Toluene-4-sulfonyl)-piperazin-1-yl]-acetic acid [(E)-3-phenyl-prop-2-en-(E)-ylidene]-hydrazide is 426.17258 g/mol.
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