TL;DR: 8-[2-[4-[2-(4-Amino-3-sulfophenyl)diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-5-[2-[6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-2-naphthalenesulfonic acid (CAS 152061-87-5) is a chemical compound with molecular formula C43H30N8O14S4 and molecular weight 1010.0764 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[4-[[4-[(4-amino-3-sulfophenyl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-7-benzamido-4-hydroxynaphthalene-2-sulfonic acid
Also Known As: 8-[2-[4-[2-(4-Amino-3-sulfophenyl)diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-5-[2-[6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-2-naphthalenesulfonic acid
| Molecular Formula | C43H30N8O14S4 |
| Molecular Weight | 1010.0764 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 401.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 12 |
| Exact Mass | 1010.0764 Da |
| Heavy Atoms | 69 |
| Complexity | 2370.0 |
| SMILES | C1=CC=C(C=C1)C(=O)NC2=CC3=CC(=C(C(=C3C=C2)O)N=NC4=C5C=CC(=CC5=C(C=C4)N=NC6=C7C=CC(=CC7=C(C=C6)N=NC8=CC(=C(C=C8)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | LGNMZYKFKGHAET-UHFFFAOYSA-N |
The XLogP value of 6.3 indicates that 8-[2-[4-[2-(4-Amino-3-sulfophenyl)diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-5-[2-[6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-2-naphthalenesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 401.0 Ų indicates high polarity, suggesting 8-[2-[4-[2-(4-Amino-3-sulfophenyl)diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-5-[2-[6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-2-naphthalenesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 8-[2-[4-[2-(4-Amino-3-sulfophenyl)diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-5-[2-[6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-2-naphthalenesulfonic acid has 7 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 8-[2-[4-[2-(4-Amino-3-sulfophenyl)diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-5-[2-[6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-2-naphthalenesulfonic acid is 152061-87-5.
The molecular formula of 8-[2-[4-[2-(4-Amino-3-sulfophenyl)diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-5-[2-[6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-2-naphthalenesulfonic acid is C43H30N8O14S4.
The molecular weight of 8-[2-[4-[2-(4-Amino-3-sulfophenyl)diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-5-[2-[6-(benzoylamino)-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-2-naphthalenesulfonic acid is 1010.0764 g/mol.
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