TL;DR: F0561-0387 (CAS 1020452-29-2) is a chemical compound with molecular formula C19H16BrN3O2S and molecular weight 429.01465 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
Also Known As: F0561-0387, 2-bromo-N-[2-(2-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide, 2-bromo-N-(5-oxido-2-(o-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide, 2-bromo-N-[2-(2-methylphenyl)-5-oxo-2H,4H,6H-5lambda4-thieno[3,4-c]pyrazol-3-yl]benzamide
| Molecular Formula | C19H16BrN3O2S |
| Molecular Weight | 429.01465 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 83.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 429.01465 Da |
| Heavy Atoms | 26 |
| Complexity | 563.0 |
| SMILES | CC1=CC=CC=C1N2C(=C3CS(=O)CC3=N2)NC(=O)C4=CC=CC=C4Br |
| InChIKey | OOHMFLUQGHZBBE-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0561-0387. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for F0561-0387. Following Lipinski's Rule of Five, F0561-0387 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of F0561-0387 is 1020452-29-2.
The molecular formula of F0561-0387 is C19H16BrN3O2S.
The molecular weight of F0561-0387 is 429.01465 g/mol.
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