TL;DR: Phenylalanyl-phenylalanyl-phenylalanine (CAS 2578-81-6) is a chemical compound with molecular formula C27H29N3O4 and molecular weight 459.21582 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
Also Known As: H-Phe-Phe-Phe-OH, Phe-phe-phe, Tri-L-phenylalanine, Phenylalanyl-phenylalanyl-phenylalanine, L-Phe-L-Phe-L-Phe
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C27H29N3O4 |
| Molecular Weight | 459.21582 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 459.21582 Da |
| Heavy Atoms | 34 |
| Complexity | 652.0 |
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)N |
| InChIKey | CBENHWCORLVGEQ-HJOGWXRNSA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylalanyl-phenylalanyl-phenylalanine. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylalanyl-phenylalanyl-phenylalanine. Following Lipinski's Rule of Five, Phenylalanyl-phenylalanyl-phenylalanine has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Phenylalanyl-phenylalanyl-phenylalanine is 2578-81-6.
The molecular formula of Phenylalanyl-phenylalanyl-phenylalanine is C27H29N3O4.
The molecular weight of Phenylalanyl-phenylalanyl-phenylalanine is 459.21582 g/mol.
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