TL;DR: BAS 01859479 (CAS 1285521-89-2) is a chemical compound with molecular formula C16H13N5O3S and molecular weight 355.0739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(5-methylthiophen-2-yl)-N-[(E)-(3-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
Also Known As: BAS 01859479, (E)-3-(5-methylthiophen-2-yl)-N'-(3-nitrobenzylidene)-1H-pyrazole-5-carbohydrazide, F1092-2040, 3-(5-methylthiophen-2-yl)-N'-[(1E)-(3-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide, 3-(5-methylthiophen-2-yl)-N'-[(E)-(3-nitrophenyl)methylidene]-1H-pyrazole-5-carbohydrazide
| Molecular Formula | C16H13N5O3S |
| Molecular Weight | 355.0739 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.0739 Da |
| Heavy Atoms | 25 |
| Complexity | 526.0 |
| SMILES | CC1=CC=C(S1)C2=CC(=NN2)C(=O)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | GROVOHQEXWYNAN-RQZCQDPDSA-N |
The XLogP value of 3.1 indicates that BAS 01859479 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting BAS 01859479 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 01859479 has 2 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 BAS 01859479 is 1285521-89-2.
The molecular formula of BAS 01859479 is C16H13N5O3S.
The molecular weight of BAS 01859479 is 355.0739 g/mol.
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