TL;DR: 1-(4-((difluoromethyl)thio)phenyl)-3-((4-(dimethylamino)phenyl)amino)pyrrolidine-2,5-dione (CAS 1008211-79-7) is a chemical compound with molecular formula C19H19F2N3O2S and molecular weight 391.1166 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(difluoromethylsulfanyl)phenyl]-3-[4-(dimethylamino)anilino]pyrrolidine-2,5-dione
Also Known As: 1-(4-((difluoromethyl)thio)phenyl)-3-((4-(dimethylamino)phenyl)amino)pyrrolidine-2,5-dione, F3023-0948, 1-[4-(difluoromethylsulfanyl)phenyl]-3-[4-(dimethylamino)anilino]pyrrolidine-2,5-dione, 1-{4-[(DIFLUOROMETHYL)SULFANYL]PHENYL}-3-{[4-(DIMETHYLAMINO)PHENYL]AMINO}PYRROLIDINE-2,5-DIONE, 1-[4-(difluoromethylthio)phenyl]-3-{[4-(dimethylamino)phenyl]amino}azolidine-2 ,5-dione
| Molecular Formula | C19H19F2N3O2S |
| Molecular Weight | 391.1166 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 78.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.1166 Da |
| Heavy Atoms | 27 |
| Complexity | 533.0 |
| SMILES | CN(C)C1=CC=C(C=C1)NC2CC(=O)N(C2=O)C3=CC=C(C=C3)SC(F)F |
| InChIKey | UKFXSPUGMHGMAP-UHFFFAOYSA-N |
The XLogP value of 4.1 indicates that 1-(4-((difluoromethyl)thio)phenyl)-3-((4-(dimethylamino)phenyl)amino)pyrrolidine-2,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-((difluoromethyl)thio)phenyl)-3-((4-(dimethylamino)phenyl)amino)pyrrolidine-2,5-dione. Following Lipinski's Rule of Five, 1-(4-((difluoromethyl)thio)phenyl)-3-((4-(dimethylamino)phenyl)amino)pyrrolidine-2,5-dione 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 1-(4-((difluoromethyl)thio)phenyl)-3-((4-(dimethylamino)phenyl)amino)pyrrolidine-2,5-dione is 1008211-79-7.
The molecular formula of 1-(4-((difluoromethyl)thio)phenyl)-3-((4-(dimethylamino)phenyl)amino)pyrrolidine-2,5-dione is C19H19F2N3O2S.
The molecular weight of 1-(4-((difluoromethyl)thio)phenyl)-3-((4-(dimethylamino)phenyl)amino)pyrrolidine-2,5-dione is 391.1166 g/mol.
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