TL;DR: E129 (CAS 25956-17-6) is a chemical compound with molecular formula C18H14N2Na2O8S2 and molecular weight 495.9987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonate
Also Known As: Allura Red AC, Allura Red, Allura red AC dye, Curry red, Fancy Red
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C18H14N2Na2O8S2 |
| Molecular Weight | 495.9987 g/mol |
| XLogP | -2.91 |
| Topological Polar Surface Area (TPSA) | 185.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 495.9987 Da |
| Heavy Atoms | 32 |
| Complexity | 809.0 |
| SMILES | CC1=CC(=C(C=C1S(=O)(=O)[O-])OC)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)[O-])O.[Na+].[Na+] |
| InChIKey | CEZCCHQBSQPRMU-UHFFFAOYSA-L |
The XLogP value of -2.91 indicates that E129 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 185.0 Ų indicates high polarity, suggesting E129 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, E129 has 1 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 E129 is 25956-17-6.
The molecular formula of E129 is C18H14N2Na2O8S2.
The molecular weight of E129 is 495.9987 g/mol.
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