TL;DR: Phe-Val-Ala (CAS 126855-16-1) is a chemical compound with molecular formula C17H25N3O4 and molecular weight 335.1845 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-methylbutanoyl]amino]propanoic acid
Also Known As: phe-val-ala, Phenylalanyl-valyl-alanine, L-Phenylalanyl-L-valyl-L-alanine, L-Alanine, N-(N-L-phenylalanyl-L-valyl)-, J1.424.991E
| Molecular Formula | C17H25N3O4 |
| Molecular Weight | 335.1845 g/mol |
| XLogP | -2.2 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 335.1845 Da |
| Heavy Atoms | 24 |
| Complexity | 447.0 |
| SMILES | C[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CC=CC=C1)N |
| InChIKey | CDHURCQGUDNBMA-UBHSHLNASA-N |
The XLogP value of -2.2 indicates that Phe-Val-Ala is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phe-Val-Ala. Following Lipinski's Rule of Five, Phe-Val-Ala 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 Phe-Val-Ala is 126855-16-1.
The molecular formula of Phe-Val-Ala is C17H25N3O4.
The molecular weight of Phe-Val-Ala is 335.1845 g/mol.
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