TL;DR: Alanylhistidine (CAS 3253-17-6) is a chemical compound with molecular formula C9H14N4O3 and molecular weight 226.1066 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
Also Known As: Alanylhistidine, Ala-His, alanyl-histidine, H-Ala-His-OH, d-alanyl-l-histidine
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H14N4O3 |
| Molecular Weight | 226.1066 g/mol |
| XLogP | -3.5 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 226.1066 Da |
| Heavy Atoms | 16 |
| Complexity | 271.0 |
| SMILES | CC(C(=O)NC(CC1=CN=CN1)C(=O)O)N |
| InChIKey | XZWXFWBHYRFLEF-UHFFFAOYSA-N |
The XLogP value of -3.5 indicates that Alanylhistidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Alanylhistidine. Following Lipinski's Rule of Five, Alanylhistidine 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 Alanylhistidine is 3253-17-6.
The molecular formula of Alanylhistidine is C9H14N4O3.
The molecular weight of Alanylhistidine is 226.1066 g/mol.
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