TL;DR: BAS 01859593 (CAS 1309672-79-4) is a chemical compound with molecular formula C14H10BrN5OS and molecular weight 374.97894 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(5-bromothiophen-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide
Also Known As: BAS 01859593, 3-(5-bromothiophen-2-yl)-N'-[(E)-pyridin-3-ylmethylidene]-1H-pyrazole-5-carbohydrazide, (E)-3-(5-bromothiophen-2-yl)-N'-(pyridin-3-ylmethylene)-1H-pyrazole-5-carbohydrazide, 3-(5-bromo-2-thienyl)-N'-[(E)-3-pyridinylmethylidene]-1H-pyrazole-5-carbohydrazide, 5-(5-bromothiophen-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]-1H-pyrazole-3-carboxamide
| Molecular Formula | C14H10BrN5OS |
| Molecular Weight | 374.97894 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.97894 Da |
| Heavy Atoms | 22 |
| Complexity | 424.0 |
| SMILES | C1=CC(=CN=C1)/C=N/NC(=O)C2=NNC(=C2)C3=CC=C(S3)Br |
| InChIKey | SHOLEXRLDYXJSW-CAOOACKPSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01859593. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01859593. Following Lipinski's Rule of Five, BAS 01859593 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of BAS 01859593 is 1309672-79-4.
The molecular formula of BAS 01859593 is C14H10BrN5OS.
The molecular weight of BAS 01859593 is 374.97894 g/mol.
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