TL;DR: Boc-Pentafluoro-L-Phenylalanine (CAS 168110-58-5) is a chemical compound with molecular formula C14H14F5NO4 and molecular weight 355.0843 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2,3,4,5,6-pentafluorophenyl)propanoic acid
Also Known As: boc-d-pentafluorophe, boc-pentafluoro-d-phe-oh, Boc-D-Pentafluorophenylalanine, Boc-L-Pentafluorophenylalanine, BOC-PENTAFLUORO-PHE-OH
| Molecular Formula | C14H14F5NO4 |
| Molecular Weight | 355.0843 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.0843 Da |
| Heavy Atoms | 24 |
| Complexity | 457.0 |
| SMILES | CC(C)(C)OC(=O)NC(CC1=C(C(=C(C(=C1F)F)F)F)F)C(=O)O |
| InChIKey | UZDKQMIDSLETST-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that Boc-Pentafluoro-L-Phenylalanine 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 Boc-Pentafluoro-L-Phenylalanine. Following Lipinski's Rule of Five, Boc-Pentafluoro-L-Phenylalanine has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Boc-Pentafluoro-L-Phenylalanine is 168110-58-5.
The molecular formula of Boc-Pentafluoro-L-Phenylalanine is C14H14F5NO4.
The molecular weight of Boc-Pentafluoro-L-Phenylalanine is 355.0843 g/mol.
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