TL;DR: 4,5-Dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid (CAS 13432-13-8) is a chemical compound with molecular formula C16H12N2O8S2 and molecular weight 424.0035 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5-dihydroxy-3-phenyldiazenylnaphthalene-2,7-disulfonic acid
Also Known As: Chromotrope 2R, Acid Red 29, C.I.Acid Red 29, 3-Phenylazochromotropic acid, acid red 29 (free acid form)
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H12N2O8S2 |
| Molecular Weight | 424.0035 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 191.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 424.0035 Da |
| Heavy Atoms | 28 |
| Complexity | 782.0 |
| SMILES | C1=CC=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)O)O |
| InChIKey | IJDLCOIGFNUHAQ-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid. The TPSA of 191.0 Ų indicates high polarity, suggesting 4,5-Dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,5-Dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4,5-Dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid is 13432-13-8.
The molecular formula of 4,5-Dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid is C16H12N2O8S2.
The molecular weight of 4,5-Dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid is 424.0035 g/mol.
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