TL;DR: 5-(Hexadecyl((1-hydroxy-2-naphthyl)carbonyl)amino)isophthalic acid (CAS 16868-55-6) is a chemical compound with molecular formula C35H45NO6 and molecular weight 575.3247 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[hexadecyl-(1-hydroxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylic acid
Also Known As: 5-[hexadecyl(1-hydroxy-2-naphthoyl)amino]isophthalic acid, 5-(Hexadecyl((1-hydroxy-2-naphthyl)carbonyl)amino)isophthalic acid, 5-[HEXADECYL[(1-HYDROXY-2-NAPHTHYL)CARBONYL]AMINO]ISOPHTHALIC ACID, 5-[hexadecyl-(1-hydroxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylic acid, 1,3-Benzenedicarboxylicacid, 5-[hexadecyl[(1-hydroxy-2-naphthalenyl)carbonyl]amino]-
| Molecular Formula | C35H45NO6 |
| Molecular Weight | 575.3247 g/mol |
| XLogP | 11.2 |
| Topological Polar Surface Area (TPSA) | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 19 |
| Exact Mass | 575.3247 Da |
| Heavy Atoms | 42 |
| Complexity | 795.0 |
| SMILES | CCCCCCCCCCCCCCCCN(C1=CC(=CC(=C1)C(=O)O)C(=O)O)C(=O)C2=C(C3=CC=CC=C3C=C2)O |
| InChIKey | BDMSVJPUZFZQNO-UHFFFAOYSA-N |
The XLogP value of 11.2 indicates that 5-(Hexadecyl((1-hydroxy-2-naphthyl)carbonyl)amino)isophthalic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Hexadecyl((1-hydroxy-2-naphthyl)carbonyl)amino)isophthalic acid. Following Lipinski's Rule of Five, 5-(Hexadecyl((1-hydroxy-2-naphthyl)carbonyl)amino)isophthalic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-(Hexadecyl((1-hydroxy-2-naphthyl)carbonyl)amino)isophthalic acid is 16868-55-6.
The molecular formula of 5-(Hexadecyl((1-hydroxy-2-naphthyl)carbonyl)amino)isophthalic acid is C35H45NO6.
The molecular weight of 5-(Hexadecyl((1-hydroxy-2-naphthyl)carbonyl)amino)isophthalic acid is 575.3247 g/mol.
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