TL;DR: Isoalloxazine, 7,8-dichloro-10-(3-(diethylamino)-2-hydroxypropyl)-, sulfate (CAS 93405-68-6) is a chemical compound with molecular formula C17H21Cl2N5O7S and molecular weight 509.05386 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(7,8-dichloro-2,4-dioxobenzo[g]pteridin-10-yl)-2-hydroxypropyl]-diethylazanium;hydrogen sulfate
Also Known As: 7,8-Dichloro-10-(3-(diethylamino)-2-hydroxypropyl)isoalloxazines ulfate, ISOALLOXAZINE, 7,8-DICHLORO-10-(3-(DIETHYLAMINO)-2-HYDROXYPROPYL)-, SULFATE, [3-(7,8-Dichloro-2,4-dioxobenzo[g]pteridin-10-yl)-2-hydroxypropyl]-diethylazanium; hydrogensulfate, [3-(7,8-dichloro-2,4-dioxobenzo[g]pteridin-10-yl)-2-hydroxypropyl]-diethylazanium; hydrogen sulfate
| Molecular Formula | C17H21Cl2N5O7S |
| Molecular Weight | 509.05386 g/mol |
| XLogP | -0.82 |
| Topological Polar Surface Area (TPSA) | 185.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 509.05386 Da |
| Heavy Atoms | 32 |
| Complexity | 743.0 |
| SMILES | CC[NH+](CC)CC(CN1C2=CC(=C(C=C2N=C3C1=NC(=O)NC3=O)Cl)Cl)O.OS(=O)(=O)[O-] |
| InChIKey | ZYQRAKBBYCLATO-UHFFFAOYSA-N |
The XLogP value of -0.82 indicates that Isoalloxazine, 7,8-dichloro-10-(3-(diethylamino)-2-hydroxypropyl)-, sulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 185.0 Ų indicates high polarity, suggesting Isoalloxazine, 7,8-dichloro-10-(3-(diethylamino)-2-hydroxypropyl)-, sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isoalloxazine, 7,8-dichloro-10-(3-(diethylamino)-2-hydroxypropyl)-, sulfate has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Isoalloxazine, 7,8-dichloro-10-(3-(diethylamino)-2-hydroxypropyl)-, sulfate is 93405-68-6.
The molecular formula of Isoalloxazine, 7,8-dichloro-10-(3-(diethylamino)-2-hydroxypropyl)-, sulfate is C17H21Cl2N5O7S.
The molecular weight of Isoalloxazine, 7,8-dichloro-10-(3-(diethylamino)-2-hydroxypropyl)-, sulfate is 509.05386 g/mol.
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