TL;DR: 2-(Hexadecyloxy)-5-(methylsulfonyl)aniline (CAS 16383-15-6) is a chemical compound with molecular formula C23H41NO3S and molecular weight 411.2807 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hexadecoxy-5-methylsulfonylaniline
Also Known As: 2-hexadecoxy-5-methylsulfonylaniline, 2-hexadecoxy-5-methylsulfonyl-aniline, 2-(Hexadecyloxy)-5-(methylsulfonyl)aniline
| Molecular Formula | C23H41NO3S |
| Molecular Weight | 411.2807 g/mol |
| XLogP | 8.6 |
| Topological Polar Surface Area (TPSA) | 77.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 17 |
| Exact Mass | 411.2807 Da |
| Heavy Atoms | 28 |
| Complexity | 461.0 |
| SMILES | CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)S(=O)(=O)C)N |
| InChIKey | YGEANWRETQEORI-UHFFFAOYSA-N |
The XLogP value of 8.6 indicates that 2-(Hexadecyloxy)-5-(methylsulfonyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Hexadecyloxy)-5-(methylsulfonyl)aniline. Following Lipinski's Rule of Five, 2-(Hexadecyloxy)-5-(methylsulfonyl)aniline has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-(Hexadecyloxy)-5-(methylsulfonyl)aniline is 16383-15-6.
The molecular formula of 2-(Hexadecyloxy)-5-(methylsulfonyl)aniline is C23H41NO3S.
The molecular weight of 2-(Hexadecyloxy)-5-(methylsulfonyl)aniline is 411.2807 g/mol.
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