TL;DR: (S,E)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-phenylhex-5-enoic acid (CAS 1217460-65-5) is a chemical compound with molecular formula C27H25NO4 and molecular weight 427.17834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E,3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-6-phenylhex-5-enoic acid
Also Known As: Fmoc-(S)-3-Amino-(6-phenyl)-5-hexenoic acid, Fmoc-styryl-L-beta-homoalanine, (S,E)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-phenylhex-5-enoic acid, Fmoc-b-HoAla(styryl)-OH, Fmoc-beta-HAla(styryl)-OH
| Molecular Formula | C27H25NO4 |
| Molecular Weight | 427.17834 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 427.17834 Da |
| Heavy Atoms | 32 |
| Complexity | 634.0 |
| SMILES | C1=CC=C(C=C1)/C=C/C[C@@H](CC(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24 |
| InChIKey | MLWHGLZHUJARIA-ZBWUASRJSA-N |
The XLogP value of 5.2 indicates that (S,E)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-phenylhex-5-enoic 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 (S,E)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-phenylhex-5-enoic acid. Following Lipinski's Rule of Five, (S,E)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-phenylhex-5-enoic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (S,E)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-phenylhex-5-enoic acid is 1217460-65-5.
The molecular formula of (S,E)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-phenylhex-5-enoic acid is C27H25NO4.
The molecular weight of (S,E)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-6-phenylhex-5-enoic acid is 427.17834 g/mol.
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