TL;DR: (3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[4-(propan-2-yl)phenyl]propanoic acid (CAS 1260601-54-4) is a chemical compound with molecular formula C27H27NO4 and molecular weight 429.194 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-propan-2-ylphenyl)propanoic acid
Also Known As: (3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[4-(propan-2-yl)phenyl]propanoic acid, (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-propan-2-ylphenyl)propanoic acid, (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-isopropylphenyl)propanoic acid, 3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-propan-2-ylphenyl)propanoic Acid
| Molecular Formula | C27H27NO4 |
| Molecular Weight | 429.194 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 429.194 Da |
| Heavy Atoms | 32 |
| Complexity | 620.0 |
| SMILES | CC(C)C1=CC=C(C=C1)[C@H](CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24 |
| InChIKey | DMJJRJTVYCLVAS-VWLOTQADSA-N |
The XLogP value of 5.2 indicates that (3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[4-(propan-2-yl)phenyl]propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[4-(propan-2-yl)phenyl]propanoic acid. Following Lipinski's Rule of Five, (3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[4-(propan-2-yl)phenyl]propanoic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[4-(propan-2-yl)phenyl]propanoic acid is 1260601-54-4.
The molecular formula of (3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[4-(propan-2-yl)phenyl]propanoic acid is C27H27NO4.
The molecular weight of (3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-[4-(propan-2-yl)phenyl]propanoic acid is 429.194 g/mol.
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