TL;DR: Pyrylium, 4-(4-(dimethylamino)phenyl)-2,6-diphenyl-, sulfate (1:1) (CAS 63059-62-1) is a chemical compound with molecular formula C25H23NO5S and molecular weight 449.1297 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(2,6-diphenylpyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;hydrogen sulfate
Also Known As: Pyrylium, 4-(4-(dimethylamino)phenyl)-2,6-diphenyl-, sulfate (1:1), Pyrylium, 4-[4-(dimethylamino)phenyl]-2,6-diphenyl-, sulfate (1:1), 4-[4-(Dimethylamino)phenyl]-2,6-diphenylpyran-1-ium hydrogen sulfate, n-[4-(2,6-diphenyl-4h-pyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-n-methylmethanaminiumhydrogen sulfate, [4-(2,6-diphenylpyran-4-ylidene)cyclohexa-2,5-dien-1-ylidene]-dimethylazanium; hydrogen sulfate
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C25H23NO5S |
| Molecular Weight | 449.1297 g/mol |
| XLogP | 4.24 |
| Topological Polar Surface Area (TPSA) | 98.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 449.1297 Da |
| Heavy Atoms | 32 |
| Complexity | 765.0 |
| SMILES | C[N+](=C1C=CC(=C2C=C(OC(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C=C1)C.OS(=O)(=O)[O-] |
| InChIKey | XSPTWZGDAJDZJC-UHFFFAOYSA-M |
The XLogP value of 4.24 indicates that Pyrylium, 4-(4-(dimethylamino)phenyl)-2,6-diphenyl-, sulfate (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrylium, 4-(4-(dimethylamino)phenyl)-2,6-diphenyl-, sulfate (1:1). Following Lipinski's Rule of Five, Pyrylium, 4-(4-(dimethylamino)phenyl)-2,6-diphenyl-, sulfate (1:1) has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyrylium, 4-(4-(dimethylamino)phenyl)-2,6-diphenyl-, sulfate (1:1) is 63059-62-1.
The molecular formula of Pyrylium, 4-(4-(dimethylamino)phenyl)-2,6-diphenyl-, sulfate (1:1) is C25H23NO5S.
The molecular weight of Pyrylium, 4-(4-(dimethylamino)phenyl)-2,6-diphenyl-, sulfate (1:1) is 449.1297 g/mol.
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