TL;DR: achatin I (CAS 121912-19-4) is a chemical compound with molecular formula C18H24N4O7 and molecular weight 408.1645 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]propanoylamino]butanedioic acid
Also Known As: achatin I, 2-[2-[[2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]propanoylamino]butanedioic acid
| Molecular Formula | C18H24N4O7 |
| Molecular Weight | 408.1645 g/mol |
| XLogP | -3.5 |
| Topological Polar Surface Area (TPSA) | 188.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 408.1645 Da |
| Heavy Atoms | 29 |
| Complexity | 619.0 |
| SMILES | CC(C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CN |
| InChIKey | ZCPBEAHAVUJKAE-UHFFFAOYSA-N |
The XLogP value of -3.5 indicates that achatin I is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 188.0 Ų indicates high polarity, suggesting achatin I may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, achatin I has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of achatin I is 121912-19-4.
The molecular formula of achatin I is C18H24N4O7.
The molecular weight of achatin I is 408.1645 g/mol.
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