TL;DR: F0561-0844 (CAS 1019094-90-6) is a chemical compound with molecular formula C26H31N3O5S and molecular weight 497.19846 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4,5-triethoxybenzamide
Also Known As: F0561-0844, N-(2-(2,3-dimethylphenyl)-5-oxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-3,4,5-triethoxybenzamide, N-[2-(2,3-dimethylphenyl)-5-oxo-2H,4H,6H-5lambda4-thieno[3,4-c]pyrazol-3-yl]-3,4,5-triethoxybenzamide, N-[2-(2,3-dimethylphenyl)-5-oxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]-3,4,5-triethoxybenzamide
| Molecular Formula | C26H31N3O5S |
| Molecular Weight | 497.19846 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 497.19846 Da |
| Heavy Atoms | 35 |
| Complexity | 726.0 |
| SMILES | CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=C3CS(=O)CC3=NN2C4=CC=CC(=C4C)C |
| InChIKey | KUKZOCNSPVUVFG-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that F0561-0844 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for F0561-0844. Following Lipinski's Rule of Five, F0561-0844 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of F0561-0844 is 1019094-90-6.
The molecular formula of F0561-0844 is C26H31N3O5S.
The molecular weight of F0561-0844 is 497.19846 g/mol.
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