TL;DR: N-Octadecyl-L-aspartic acid (CAS 70021-38-4) is a chemical compound with molecular formula C22H43NO4 and molecular weight 385.3192 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-(octadecylamino)butanedioic acid
Also Known As: N-Octadecyl-L-aspartic acid, N-octadecyl-L-asparticacid, L-Aspartic acid,N-octadecyl-, (2S)-2-(octadecylamino)butanedioic Acid, 274-256-9
| Molecular Formula | C22H43NO4 |
| Molecular Weight | 385.3192 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 21 |
| Exact Mass | 385.3192 Da |
| Heavy Atoms | 27 |
| Complexity | 360.0 |
| SMILES | CCCCCCCCCCCCCCCCCCN[C@@H](CC(=O)O)C(=O)O |
| InChIKey | WAFABZJWXBXYNL-FQEVSTJZSA-N |
The XLogP value of 5.5 indicates that N-Octadecyl-L-aspartic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Octadecyl-L-aspartic acid. Following Lipinski's Rule of Five, N-Octadecyl-L-aspartic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-Octadecyl-L-aspartic acid is 70021-38-4.
The molecular formula of N-Octadecyl-L-aspartic acid is C22H43NO4.
The molecular weight of N-Octadecyl-L-aspartic acid is 385.3192 g/mol.
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