TL;DR: Ici 200355 (CAS 105080-32-8) is a chemical compound with molecular formula C30H34BrF3N4O7S and molecular weight 730.12836 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-N-(4-bromophenyl)sulfonyl-1-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]benzene-1,4-dicarboxamide
Also Known As: ICI 200355, Ici-200,355, L-Prolinamide, N-(4-((((4-bromophenyl)sulfonyl)amino)carbonyl)benzoyl)-L-valyl-N-(3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl)-, 4-(4-Bromophenylsulfonylcarbamoyl)benzoyl-L-valyl-L-proline-1(RS)-(1-trifluoroacetyl-2-methylprolyl)amide, 4-N-(4-bromophenyl)sulfonyl-1-N-[(2S)-3-methyl-1-oxo-1-[(2S)-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)carbamoyl]pyrrolidin-1-yl]butan-2-yl]benzene-1,4-dicarboxamide
| Molecular Formula | C30H34BrF3N4O7S |
| Molecular Weight | 730.12836 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 167.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 730.12836 Da |
| Heavy Atoms | 46 |
| Complexity | 1240.0 |
| SMILES | CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NC(C(C)C)C(=O)C(F)(F)F)NC(=O)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)Br |
| InChIKey | UUWIYANOKPHUQZ-OTKIHZFJSA-N |
The XLogP value of 5.3 indicates that Ici 200355 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 167.0 Ų indicates high polarity, suggesting Ici 200355 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ici 200355 has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ici 200355 is 105080-32-8.
The molecular formula of Ici 200355 is C30H34BrF3N4O7S.
The molecular weight of Ici 200355 is 730.12836 g/mol.
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