TL;DR: 1-Benzopyrylium, 4-(butylamino)-4'-methoxy-, tetrafluoroborate(1-) (1:1) (CAS 30411-66-6) is a chemical compound with molecular formula C20H22BF4NO2 and molecular weight 395.16797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate
Also Known As: 4- -2- -1-benzopyryliumtetrafluoroborate, 4-(Butylamino)-2-(4-methoxyphenyl)-1-benzopyrylium tetrafluoroborate, 1-Benzopyrylium, 4-(butylamino)-2-(4-methoxyphenyl)-, tetrafluoroborate(1-), butyl-[2-(4-methoxyphenyl)chromen-4-ylidene]azanium, 1-Benzopyrylium, 4-(butylamino)-4'-methoxy-, tetrafluoroborate(1-) (1:1)
| Molecular Formula | C20H22BF4NO2 |
| Molecular Weight | 395.16797 g/mol |
| XLogP | 4.19 |
| Topological Polar Surface Area (TPSA) | 32.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.16797 Da |
| Heavy Atoms | 28 |
| Complexity | 454.0 |
| SMILES | [B-](F)(F)(F)F.CCCC[NH+]=C1C=C(OC2=CC=CC=C21)C3=CC=C(C=C3)OC |
| InChIKey | YNZAPEKUQACJGO-UHFFFAOYSA-O |
The XLogP value of 4.19 indicates that 1-Benzopyrylium, 4-(butylamino)-4'-methoxy-, tetrafluoroborate(1-) (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.4 Ų, 1-Benzopyrylium, 4-(butylamino)-4'-methoxy-, tetrafluoroborate(1-) (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzopyrylium, 4-(butylamino)-4'-methoxy-, tetrafluoroborate(1-) (1:1) has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Benzopyrylium, 4-(butylamino)-4'-methoxy-, tetrafluoroborate(1-) (1:1) is 30411-66-6.
The molecular formula of 1-Benzopyrylium, 4-(butylamino)-4'-methoxy-, tetrafluoroborate(1-) (1:1) is C20H22BF4NO2.
The molecular weight of 1-Benzopyrylium, 4-(butylamino)-4'-methoxy-, tetrafluoroborate(1-) (1:1) is 395.16797 g/mol.
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