TL;DR: Acid Red 40 (CAS 12167-45-2) is a chemical compound with molecular formula C20H17N3Na2O8S2 and molecular weight 537.02527 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;5-acetamido-3-[(3,4-dimethylphenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
Also Known As: Acid Red 40, Disodium 5-(acetylamino)-3-((dimethylphenyl)azo)-4-hydroxynaphthalene-2,7-disulphonate, Disodium 5-(acetylamino)-3-[(dimethylphenyl)azo]-4-hydroxynaphthalene-2,7-disulphonate, disodium;5-acetamido-3-[(3,4-dimethylphenyl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate, Disodium 5-(acetylamino)-3-[(dimethylphenyl)azo]-4-hydroxynaphthalene-2,7-disulfonate
| Molecular Formula | C20H17N3Na2O8S2 |
| Molecular Weight | 537.02527 g/mol |
| XLogP | -2.65 |
| Topological Polar Surface Area (TPSA) | 205.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 537.02527 Da |
| Heavy Atoms | 35 |
| Complexity | 932.0 |
| SMILES | CC1=C(C=C(C=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C)O)C.[Na+].[Na+] |
| InChIKey | IKDBCBTZCFSJJH-UHFFFAOYSA-L |
The XLogP value of -2.65 indicates that Acid Red 40 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 205.0 Ų indicates high polarity, suggesting Acid Red 40 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acid Red 40 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Acid Red 40 is 12167-45-2.
The molecular formula of Acid Red 40 is C20H17N3Na2O8S2.
The molecular weight of Acid Red 40 is 537.02527 g/mol.
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