TL;DR: H-His-D-Trp(2-Me)-Ala-Trp-DL-Phe-Lys-NH2 (CAS 140703-51-1) is a chemical compound with molecular formula C47H58N12O6 and molecular weight 886.4602 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]hexanamide
Also Known As: Hexarelin, aminohexanamide, I06-1821, (2S)-2-((5S,8S,11R,14S)-5-((1H-indol-3-yl)methyl)-14-amino-2-benzyl-15-(1H-imidazol-5-yl)-8-methyl-11-((2-methyl-1H-indol-3-yl)methyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecanamido)-6-, (2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(2-methyl-1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenyl-propanoyl]amino]hexanamide
| Molecular Formula | C47H58N12O6 |
| Molecular Weight | 886.4602 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 301.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 23 |
| Exact Mass | 886.4602 Da |
| Heavy Atoms | 65 |
| Complexity | 1600.0 |
| SMILES | CC1=C(C2=CC=CC=C2N1)C[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CC=CC=C5)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CC6=CN=CN6)N |
| InChIKey | RVWNMGKSNGWLOL-RJVQSILISA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for H-His-D-Trp(2-Me)-Ala-Trp-DL-Phe-Lys-NH2. The TPSA of 301.0 Ų indicates high polarity, suggesting H-His-D-Trp(2-Me)-Ala-Trp-DL-Phe-Lys-NH2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, H-His-D-Trp(2-Me)-Ala-Trp-DL-Phe-Lys-NH2 has 11 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of H-His-D-Trp(2-Me)-Ala-Trp-DL-Phe-Lys-NH2 is 140703-51-1.
The molecular formula of H-His-D-Trp(2-Me)-Ala-Trp-DL-Phe-Lys-NH2 is C47H58N12O6.
The molecular weight of H-His-D-Trp(2-Me)-Ala-Trp-DL-Phe-Lys-NH2 is 886.4602 g/mol.
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