TL;DR: HYDROXYNAPHTHOLBLUE (CAS 29120-26-1) is a chemical compound with molecular formula C20H14N2O11S3 and molecular weight 553.97595 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxy-4-[(2-hydroxy-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonic acid
Also Known As: HYDROXYNAPHTHOLBLUE, HYDROXY NAPHTHOL BLUE, 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-((2-hydroxy-4-sulfo-1-naphthalenyl)azo)-, 2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[2-(2-hydroxy-4-sulfo-1-naphthalenyl)diazenyl]-, 3-hydroxy-4-[(2-hydroxy-4-sulfonaphthalen-1-yl)diazenyl]naphthalene-2,7-disulfonic acid
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C20H14N2O11S3 |
| Molecular Weight | 553.97595 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 253.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 5 |
| Exact Mass | 553.97595 Da |
| Heavy Atoms | 36 |
| Complexity | 1160.0 |
| SMILES | C1=CC=C2C(=C1)C(=CC(=C2N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O |
| InChIKey | QTZMAXMJTAFVLL-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for HYDROXYNAPHTHOLBLUE. The TPSA of 253.0 Ų indicates high polarity, suggesting HYDROXYNAPHTHOLBLUE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, HYDROXYNAPHTHOLBLUE has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of HYDROXYNAPHTHOLBLUE is 29120-26-1.
The molecular formula of HYDROXYNAPHTHOLBLUE is C20H14N2O11S3.
The molecular weight of HYDROXYNAPHTHOLBLUE is 553.97595 g/mol.
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