TL;DR: BAS 02249157 (CAS 1022919-34-1) is a chemical compound with molecular formula C22H24FN3O4S and molecular weight 445.14716 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide
Also Known As: BAS 02249157, 2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-fluorophenyl)acetamide, 2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide, 2-(3-(3,4-dimethoxyphenethyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl)-N-(4-fluorophenyl)acetamide, 2-{3-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-1-METHYL-5-OXO-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL}-N-(4-FLUOROPHENYL)ACETAMIDE
| Molecular Formula | C22H24FN3O4S |
| Molecular Weight | 445.14716 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.14716 Da |
| Heavy Atoms | 31 |
| Complexity | 659.0 |
| SMILES | CN1C(=O)C(N(C1=S)CCC2=CC(=C(C=C2)OC)OC)CC(=O)NC3=CC=C(C=C3)F |
| InChIKey | DOWHGGUYVABZHD-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02249157. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02249157. Following Lipinski's Rule of Five, BAS 02249157 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of BAS 02249157 is 1022919-34-1.
The molecular formula of BAS 02249157 is C22H24FN3O4S.
The molecular weight of BAS 02249157 is 445.14716 g/mol.
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