TL;DR: hexa-L-alanine (CAS 111652-29-0) is a chemical compound with molecular formula C18H32N6O7 and molecular weight 444.23325 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]propanoylamino]propanoylamino]propanoic acid
Also Known As: hexa-L-alanine, 17-Amino-2,5,8,11,14-pentamethyl-4,7,10,13,16-pentaoxo-3,6,9,12,15-pentaazaoctadecan-1-oic acid, 2-[2-[2-[2-[2-(2-aminopropanoylamino)propanoylamino]propanoylamino]propanoylamino]propanoylamino]propanoic acid, (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid, L-Alanine,N-[N-[N-[N-(N-L-alanyl-L-alanyl)-L-alanyl]-L-alanyl]-L-alanyl]-,monohydrochloride (9CI)
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C18H32N6O7 |
| Molecular Weight | 444.23325 g/mol |
| XLogP | -4.3 |
| Topological Polar Surface Area (TPSA) | 209.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 444.23325 Da |
| Heavy Atoms | 31 |
| Complexity | 714.0 |
| SMILES | CC(C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(C)C(=O)O)N |
| InChIKey | ZLHDFPIXRRJBKM-UHFFFAOYSA-N |
The XLogP value of -4.3 indicates that hexa-L-alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 209.0 Ų indicates high polarity, suggesting hexa-L-alanine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, hexa-L-alanine has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of hexa-L-alanine is 111652-29-0.
The molecular formula of hexa-L-alanine is C18H32N6O7.
The molecular weight of hexa-L-alanine is 444.23325 g/mol.
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