TL;DR: 4-Hydroxy-3-[[4-hydroxy-3-[[2-[methyl(octadecyl)amino]-5-sulfophenyl]carbamoyl]naphthalen-1-yl]diazenyl]benzoic acid (CAS 15590-06-4) is a chemical compound with molecular formula C43H56N4O8S and molecular weight 788.3819 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hydroxy-3-[[4-hydroxy-3-[[2-[methyl(octadecyl)amino]-5-sulfophenyl]carbamoyl]naphthalen-1-yl]diazenyl]benzoic acid
Also Known As: 4-Hydroxy-3-[[4-hydroxy-3-[[2-[methyl(octadecyl)amino]-5-sulfophenyl]carbamoyl]naphthalen-1-yl]diazenyl]benzoic acid, (CARBOXY-HYDROXYPHENYLAZO-OH-NAPHTHAMIDO)-(ME-OCTADECYLAMINO)BENZENESULFONICACID, 1-HYDROXY-4-(2-HYDROXY-5-CARBOXY)-PHENYLAZO-N-(METHYL-OCTADECYLAMINO-5-SULFO)-2-NAPHTHAMIDE, 4-hydroxy-3-[(2E)-2-[3-[[2-[methyl(octadecyl)amino]-5-sulfophenyl]carbamoyl]-4-oxonaphthalen-1-ylidene]hydrazinyl]benzoic acid, 4-hydroxy-3-[(2Z)-2-[3-[[2-[methyl(octadecyl)amino]-5-sulfophenyl]carbamoyl]-4-oxonaphthalen-1-ylidene]hydrazinyl]benzoic acid
| Molecular Formula | C43H56N4O8S |
| Molecular Weight | 788.3819 g/mol |
| XLogP | 12.9 |
| Topological Polar Surface Area (TPSA) | 198.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 24 |
| Exact Mass | 788.3819 Da |
| Heavy Atoms | 56 |
| Complexity | 1300.0 |
| SMILES | CCCCCCCCCCCCCCCCCCN(C)C1=C(C=C(C=C1)S(=O)(=O)O)NC(=O)C2=C(C3=CC=CC=C3C(=C2)N=NC4=C(C=CC(=C4)C(=O)O)O)O |
| InChIKey | ZHSYRKXDOQEMFY-UHFFFAOYSA-N |
The XLogP value of 12.9 indicates that 4-Hydroxy-3-[[4-hydroxy-3-[[2-[methyl(octadecyl)amino]-5-sulfophenyl]carbamoyl]naphthalen-1-yl]diazenyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 198.0 Ų indicates high polarity, suggesting 4-Hydroxy-3-[[4-hydroxy-3-[[2-[methyl(octadecyl)amino]-5-sulfophenyl]carbamoyl]naphthalen-1-yl]diazenyl]benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Hydroxy-3-[[4-hydroxy-3-[[2-[methyl(octadecyl)amino]-5-sulfophenyl]carbamoyl]naphthalen-1-yl]diazenyl]benzoic acid has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-Hydroxy-3-[[4-hydroxy-3-[[2-[methyl(octadecyl)amino]-5-sulfophenyl]carbamoyl]naphthalen-1-yl]diazenyl]benzoic acid is 15590-06-4.
The molecular formula of 4-Hydroxy-3-[[4-hydroxy-3-[[2-[methyl(octadecyl)amino]-5-sulfophenyl]carbamoyl]naphthalen-1-yl]diazenyl]benzoic acid is C43H56N4O8S.
The molecular weight of 4-Hydroxy-3-[[4-hydroxy-3-[[2-[methyl(octadecyl)amino]-5-sulfophenyl]carbamoyl]naphthalen-1-yl]diazenyl]benzoic acid is 788.3819 g/mol.
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