TL;DR: 2,6-Di-tert-butyl-4-{2-[4-(dimethylamino)phenyl]vinyl}pyrylium perchlorate (CAS 1352296-65-1) is a chemical compound with molecular formula C23H32ClNO5 and molecular weight 437.1969 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[2-(2,6-ditert-butylpyran-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium perchlorate
Also Known As: SM21 perchlorate, F1013-0042, 2,6-di-tert-butyl-4-{2-[4-(dimethylamino)phenyl]vinyl}pyrylium perchlorate, (E)-2,6-di-tert-butyl-4-(4-(dimethylamino)styryl)-2H-pyran-2-ylium perchlorate, [4-[2-(2,6-ditert-butylpyran-4-ylidene)ethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium perchlorate
| Molecular Formula | C23H32ClNO5 |
| Molecular Weight | 437.1969 g/mol |
| XLogP | 0.8125 |
| Topological Polar Surface Area (TPSA) | 86.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 437.1969 Da |
| Heavy Atoms | 30 |
| Complexity | 793.0 |
| SMILES | CC(C)(C)C1=CC(=CC=C2C=CC(=[N+](C)C)C=C2)C=C(O1)C(C)(C)C.[O-]Cl(=O)(=O)=O |
| InChIKey | VMHHIKFQHFTOTC-UHFFFAOYSA-M |
The XLogP value of 0.8125 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Di-tert-butyl-4-{2-[4-(dimethylamino)phenyl]vinyl}pyrylium perchlorate. The TPSA of 86.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Di-tert-butyl-4-{2-[4-(dimethylamino)phenyl]vinyl}pyrylium perchlorate. Following Lipinski's Rule of Five, 2,6-Di-tert-butyl-4-{2-[4-(dimethylamino)phenyl]vinyl}pyrylium perchlorate has 0 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 2,6-Di-tert-butyl-4-{2-[4-(dimethylamino)phenyl]vinyl}pyrylium perchlorate is 1352296-65-1.
The molecular formula of 2,6-Di-tert-butyl-4-{2-[4-(dimethylamino)phenyl]vinyl}pyrylium perchlorate is C23H32ClNO5.
The molecular weight of 2,6-Di-tert-butyl-4-{2-[4-(dimethylamino)phenyl]vinyl}pyrylium perchlorate is 437.1969 g/mol.
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