TL;DR: Alloc-D-Phe (CAS 1217478-96-0) is a chemical compound with molecular formula C13H15NO4 and molecular weight 249.10011 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-3-phenyl-2-(prop-2-enoxycarbonylamino)propanoic acid
Also Known As: Alloc-D-Phe, Aloc-D-Phe-OH DCHA, Aloc-D-Phe-OH . DCHA, N-Allyloxycarbonyl-D-phenylalanine, ((Allyloxy)carbonyl)-D-phenylalanine
| Molecular Formula | C13H15NO4 |
| Molecular Weight | 249.10011 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 249.10011 Da |
| Heavy Atoms | 18 |
| Complexity | 297.0 |
| SMILES | C=CCOC(=O)N[C@H](CC1=CC=CC=C1)C(=O)O |
| InChIKey | FVBZCQLQINXRAC-LLVKDONJSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alloc-D-Phe. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Alloc-D-Phe. Following Lipinski's Rule of Five, Alloc-D-Phe has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Alloc-D-Phe is 1217478-96-0.
The molecular formula of Alloc-D-Phe is C13H15NO4.
The molecular weight of Alloc-D-Phe is 249.10011 g/mol.
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