TL;DR: Phe-Arg-Ala-Asp-His-Pro-Phe-Leu (CAS 153512-29-9) is a chemical compound with molecular formula C48H67N13O11 and molecular weight 1001.5083 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
Also Known As: Ovokinin, Phe-Arg-Ala-Asp-His-Pro-Phe-Leu, ovalbumin (358-365), H-PHE-ARG-ALA-ASP-HIS-PRO-PHE-LEU-OH, H-PHE-ARG-ALA-ASP-HIS-PRO-PHE-LEU-OH ACETATE SALT
| Molecular Formula | C48H67N13O11 |
| Molecular Weight | 1001.5083 g/mol |
| XLogP | -2.3 |
| Topological Polar Surface Area (TPSA) | 389.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 28 |
| Exact Mass | 1001.5083 Da |
| Heavy Atoms | 72 |
| Complexity | 1890.0 |
| SMILES | C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC4=CC=CC=C4)N |
| InChIKey | HBDDSFYGZBZVQM-KOOVRBLHSA-N |
The XLogP value of -2.3 indicates that Phe-Arg-Ala-Asp-His-Pro-Phe-Leu is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 389.0 Ų indicates high polarity, suggesting Phe-Arg-Ala-Asp-His-Pro-Phe-Leu may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phe-Arg-Ala-Asp-His-Pro-Phe-Leu has 12 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Phe-Arg-Ala-Asp-His-Pro-Phe-Leu is 153512-29-9.
The molecular formula of Phe-Arg-Ala-Asp-His-Pro-Phe-Leu is C48H67N13O11.
The molecular weight of Phe-Arg-Ala-Asp-His-Pro-Phe-Leu is 1001.5083 g/mol.
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