TL;DR: 5-bromo-2-chloro-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide (CAS 1007550-83-5) is a chemical compound with molecular formula C19H15BrClN3O2S and molecular weight 462.97568 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-2-chloro-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
Also Known As: 5-bromo-2-chloro-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide, F0561-0579, 5-bromo-2-chloro-N-(5-oxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide, 5-bromo-2-chloro-N-[2-(4-methylphenyl)-5-oxo-2H,4H,6H-5lambda4-thieno[3,4-c]pyrazol-3-yl]benzamide
| Molecular Formula | C19H15BrClN3O2S |
| Molecular Weight | 462.97568 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 83.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 462.97568 Da |
| Heavy Atoms | 27 |
| Complexity | 589.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=C3CS(=O)CC3=N2)NC(=O)C4=C(C=CC(=C4)Br)Cl |
| InChIKey | FXLLBFIMSPOGAN-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 5-bromo-2-chloro-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-bromo-2-chloro-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide. Following Lipinski's Rule of Five, 5-bromo-2-chloro-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide 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 5-bromo-2-chloro-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is 1007550-83-5.
The molecular formula of 5-bromo-2-chloro-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is C19H15BrClN3O2S.
The molecular weight of 5-bromo-2-chloro-N-[2-(4-methylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is 462.97568 g/mol.
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