TL;DR: (2S,3S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-hydroxy-3-(4-(trifluoromethyl)phenyl)propanoic acid (CAS 1217777-82-6) is a chemical compound with molecular formula C25H20F3NO5 and molecular weight 471.12936 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoic acid
Also Known As: (2S,3S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-hydroxy-3-(4-(trifluoromethyl)phenyl)propanoic acid, 6609AC, N-Fmoc-(2S,3S)-3-Amino-2-hydroxy-3-(4-trifluoromethyl-phenyl)-propionic acid, (2S,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoic acid, N-FMOC-(2S,3S)-3-AMINO-2-HYDROXY-3-(4-TRIFLUOROMETHYL-PHENYL)-PROPANOIC ACID
| Molecular Formula | C25H20F3NO5 |
| Molecular Weight | 471.12936 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 95.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 471.12936 Da |
| Heavy Atoms | 34 |
| Complexity | 702.0 |
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](C4=CC=C(C=C4)C(F)(F)F)[C@@H](C(=O)O)O |
| InChIKey | MWYLISRBKNDQSE-VXKWHMMOSA-N |
The XLogP value of 4.4 indicates that (2S,3S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-hydroxy-3-(4-(trifluoromethyl)phenyl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,3S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-hydroxy-3-(4-(trifluoromethyl)phenyl)propanoic acid. Following Lipinski's Rule of Five, (2S,3S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-hydroxy-3-(4-(trifluoromethyl)phenyl)propanoic acid has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2S,3S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-hydroxy-3-(4-(trifluoromethyl)phenyl)propanoic acid is 1217777-82-6.
The molecular formula of (2S,3S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-hydroxy-3-(4-(trifluoromethyl)phenyl)propanoic acid is C25H20F3NO5.
The molecular weight of (2S,3S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-2-hydroxy-3-(4-(trifluoromethyl)phenyl)propanoic acid is 471.12936 g/mol.
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