TL;DR: 3-(4-Chlorophenyl)-5-hydroxy-4-((2-alpha-benzylidenehydrazino)-4-thiazolyl)-1,2,3-oxadiazolium (CAS 155812-27-4) is a chemical compound with molecular formula C19H14ClN5O2S and molecular weight 411.05566 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chlorophenyl)-4-[2-[(2Z)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]oxadiazol-3-ium-5-olate
Also Known As: 3-(4-Chlorophenyl)-5-hydroxy-4-((2-alpha-benzylidenehydrazino)-4-thiazolyl)-1,2,3-oxadiazolium, 1,2,3-Oxadiazolium, 3-(4-chlorophenyl)-5-hydroxy-4-(2-((1-phenylethylidene)hydrazino)-4-thiazolyl)-, inner salt, 3-(4-chlorophenyl)-4-[2-[(2Z)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]oxadiazol-3-ium-5-olate, 3-(4-Chlorophenyl)-5-hydroxy-4-((2-alpha-benzylidenehydrazino)-4-thiaz olyl)-1,2,3-oxadiazolium, 3-(4-chlorophenyl)-4-[2-((2z)-2-(1-phenylethylidene)hydrazinyl)-1,3-thiazol-4-yl]oxadiazol-3-ium-5-olate
| Molecular Formula | C19H14ClN5O2S |
| Molecular Weight | 411.05566 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.05566 Da |
| Heavy Atoms | 28 |
| Complexity | 542.0 |
| SMILES | C/C(=N/NC1=NC(=CS1)C2=C(ON=[N+]2C3=CC=C(C=C3)Cl)[O-])/C4=CC=CC=C4 |
| InChIKey | HXZKBPMBMILXOI-UUYOSTAYSA-N |
The XLogP value of 6.3 indicates that 3-(4-Chlorophenyl)-5-hydroxy-4-((2-alpha-benzylidenehydrazino)-4-thiazolyl)-1,2,3-oxadiazolium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Chlorophenyl)-5-hydroxy-4-((2-alpha-benzylidenehydrazino)-4-thiazolyl)-1,2,3-oxadiazolium. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-5-hydroxy-4-((2-alpha-benzylidenehydrazino)-4-thiazolyl)-1,2,3-oxadiazolium has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(4-Chlorophenyl)-5-hydroxy-4-((2-alpha-benzylidenehydrazino)-4-thiazolyl)-1,2,3-oxadiazolium is 155812-27-4.
The molecular formula of 3-(4-Chlorophenyl)-5-hydroxy-4-((2-alpha-benzylidenehydrazino)-4-thiazolyl)-1,2,3-oxadiazolium is C19H14ClN5O2S.
The molecular weight of 3-(4-Chlorophenyl)-5-hydroxy-4-((2-alpha-benzylidenehydrazino)-4-thiazolyl)-1,2,3-oxadiazolium is 411.05566 g/mol.
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