TL;DR: Boc-Phe-CH2Ph-Leu-Phe-NH2 (CAS 132565-30-1) is a chemical compound with molecular formula C48H61N5O7 and molecular weight 819.4571 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl N-[(2S)-1-[[(2S,3S,5R)-6-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-benzyl-3-hydroxy-6-oxo-1-phenylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Also Known As: Boc-Phe-CH2Ph-Leu-Phe-NH2, Hydroxyethylene deriv. 1, L-Phenylalaninamide, N-(5-((2-(((1,1-dimethylethoxy)carbonyl)amino)-1-oxo-3-phenylpropyl)amino)-4-hydroxy-1-oxo-6-phenyl-2-(phenylmethyl)hexyl)-L-leucyl-, (2R-(2R*,4S*,5S*(S*)))-, 6-Phenyl-5-(N-butyloxycarbonylphenylalaninylamino)-4-hydroxy-2-benzyl-1-(leucinylphenylalaninylamino)-hexanone, tert-butyl N-[(1S)-1-{[(2S,3S,5R)-5-benzyl-5-{[(1S)-1-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-hydroxy-1-phenylpentan-2-yl]carbamoyl}-2-phenylethyl]carbamate
| Molecular Formula | C48H61N5O7 |
| Molecular Weight | 819.4571 g/mol |
| XLogP | 7.3 |
| Topological Polar Surface Area (TPSA) | 189.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 23 |
| Exact Mass | 819.4571 Da |
| Heavy Atoms | 60 |
| Complexity | 1330.0 |
| SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)OC(C)(C)C)O |
| InChIKey | OKLXJRBROSFVFX-RUPQPXQESA-N |
The XLogP value of 7.3 indicates that Boc-Phe-CH2Ph-Leu-Phe-NH2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 189.0 Ų indicates high polarity, suggesting Boc-Phe-CH2Ph-Leu-Phe-NH2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Boc-Phe-CH2Ph-Leu-Phe-NH2 has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Boc-Phe-CH2Ph-Leu-Phe-NH2 is 132565-30-1.
The molecular formula of Boc-Phe-CH2Ph-Leu-Phe-NH2 is C48H61N5O7.
The molecular weight of Boc-Phe-CH2Ph-Leu-Phe-NH2 is 819.4571 g/mol.
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