TL;DR: BAS 02249057 (CAS 1022919-87-4) is a chemical compound with molecular formula C25H22ClN3O2S and molecular weight 463.11212 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-chlorophenyl)-2-[5-oxo-1-phenyl-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
Also Known As: BAS 02249057, N-(4-chlorophenyl)-2-[5-oxo-1-phenyl-3-(2-phenylethyl)-2-thioxoimidazolidin-4-yl]acetamide, N-(4-Chlorophenyl)-5-oxo-1-phenyl-3-(2-phenylethyl)-2-thioxo-4-imidazolidineacetamide, N-(4-CHLOROPHENYL)-2-[5-OXO-1-PHENYL-3-(2-PHENYLETHYL)-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL]ACETAMIDE, N-(4-chlorophenyl)-2-(5-oxo-3-phenethyl-1-phenyl-2-thioxoimidazolidin-4-yl)acetamide
| Molecular Formula | C25H22ClN3O2S |
| Molecular Weight | 463.11212 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 84.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 463.11212 Da |
| Heavy Atoms | 32 |
| Complexity | 670.0 |
| SMILES | C1=CC=C(C=C1)CCN2C(C(=O)N(C2=S)C3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)Cl |
| InChIKey | NYBZVNFMXSBERV-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that BAS 02249057 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02249057. Following Lipinski's Rule of Five, BAS 02249057 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of BAS 02249057 is 1022919-87-4.
The molecular formula of BAS 02249057 is C25H22ClN3O2S.
The molecular weight of BAS 02249057 is 463.11212 g/mol.
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