TL;DR: Disperse blue 27 (CAS 15791-78-3) is a chemical compound with molecular formula C22H16N2O7 and molecular weight 420.09576 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,8-dihydroxy-4-[4-(2-hydroxyethyl)anilino]-5-nitroanthracene-9,10-dione
Also Known As: Disperse Blue 27, C.I. DISPERSE BLUE 27, Eastman Fast Blue B-GLF, Serisol Fast Blue BGLW, 8-Nitroanthraquinone
| Molecular Formula | C22H16N2O7 |
| Molecular Weight | 420.09576 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 153.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.09576 Da |
| Heavy Atoms | 31 |
| Complexity | 702.0 |
| SMILES | C1=CC(=CC=C1CCO)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)[N+](=O)[O-])O |
| InChIKey | VOCYGZAHYQXJOF-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that Disperse blue 27 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.0 Ų indicates high polarity, suggesting Disperse blue 27 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Disperse blue 27 has 4 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 Disperse blue 27 is 15791-78-3.
The molecular formula of Disperse blue 27 is C22H16N2O7.
The molecular weight of Disperse blue 27 is 420.09576 g/mol.
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