TL;DR: Pigment Red 63 (CAS 21416-46-6) is a chemical compound with molecular formula C21H14N2O6S and molecular weight 422.05725 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxy-4-[(1-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-carboxylic acid
Also Known As: Pigment Red 63, D&c Red No.34, D&C Red 34, PIGMENT RED 63 (C.I. 15880), 3-Hydroxy-4-(1-sulfo-2-naphthylazo)-2-naphthoic acid
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C21H14N2O6S |
| Molecular Weight | 422.05725 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.05725 Da |
| Heavy Atoms | 30 |
| Complexity | 766.0 |
| SMILES | C1=CC=C2C(=C1)C=CC(=C2S(=O)(=O)O)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)O)O |
| InChIKey | PWUSHZPXYOALFZ-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that Pigment Red 63 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting Pigment Red 63 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pigment Red 63 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pigment Red 63 is 21416-46-6.
The molecular formula of Pigment Red 63 is C21H14N2O6S.
The molecular weight of Pigment Red 63 is 422.05725 g/mol.
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