TL;DR: Histidyl-glutamyl-alanyl-prolyl-isoleucine (CAS 121119-48-0) is a chemical compound with molecular formula C25H39N7O8 and molecular weight 565.286 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid
Also Known As: HEAPI, His-glu-ala-pro-ile, Compound 88-62, Compound 88/62, Histidyl-glutamyl-alanyl-prolyl-isoleucine
| Molecular Formula | C25H39N7O8 |
| Molecular Weight | 565.286 g/mol |
| XLogP | -3.1 |
| Topological Polar Surface Area (TPSA) | 237.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 15 |
| Exact Mass | 565.286 Da |
| Heavy Atoms | 40 |
| Complexity | 948.0 |
| SMILES | CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC2=CN=CN2)N |
| InChIKey | BBJZTZVCICUYNU-HOCDWTQPSA-N |
The XLogP value of -3.1 indicates that Histidyl-glutamyl-alanyl-prolyl-isoleucine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 237.0 Ų indicates high polarity, suggesting Histidyl-glutamyl-alanyl-prolyl-isoleucine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Histidyl-glutamyl-alanyl-prolyl-isoleucine has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Histidyl-glutamyl-alanyl-prolyl-isoleucine is 121119-48-0.
The molecular formula of Histidyl-glutamyl-alanyl-prolyl-isoleucine is C25H39N7O8.
The molecular weight of Histidyl-glutamyl-alanyl-prolyl-isoleucine is 565.286 g/mol.
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