TL;DR: 3,4,5-triethoxy-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide (CAS 1019094-86-0) is a chemical compound with molecular formula C24H26FN3O5S and molecular weight 487.1577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4,5-triethoxy-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
Also Known As: 3,4,5-triethoxy-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide, F0561-0842, 3,4,5-triethoxy-N-(2-(4-fluorophenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide, 3,4,5-triethoxy-N-[2-(4-fluorophenyl)-5-oxo-2H,4H,6H-5lambda4-thieno[3,4-c]pyrazol-3-yl]benzamide
| Molecular Formula | C24H26FN3O5S |
| Molecular Weight | 487.1577 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 487.1577 Da |
| Heavy Atoms | 34 |
| Complexity | 694.0 |
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C3CS(=O)CC3=NN2C4=CC=C(C=C4)F |
| InChIKey | PYBZGABQCDQPJE-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5-triethoxy-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4,5-triethoxy-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide. Following Lipinski's Rule of Five, 3,4,5-triethoxy-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3,4,5-triethoxy-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is 1019094-86-0.
The molecular formula of 3,4,5-triethoxy-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is C24H26FN3O5S.
The molecular weight of 3,4,5-triethoxy-N-[2-(4-fluorophenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide is 487.1577 g/mol.
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