TL;DR: Isoalloxazine, 10-(2-(diethylamino)ethyl)-8-methoxy-7-methyl-, sulfate (CAS 101652-09-9) is a chemical compound with molecular formula C18H25N5O7S and molecular weight 455.14746 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
10-[2-(diethylamino)ethyl]-8-methoxy-1-methylbenzo[g]pteridin-10-ium-2,4-dione;hydrogen sulfate
Also Known As: Isoalloxazine, 10-(2-(diethylamino)ethyl)-8-methoxy-7-methyl-, sulfate, 10-(2-(Diethylamino)ethyl)-8-methoxy-7-methylisoalloxazine sulfate, 10-(2-diethylaminoethyl)-8-methoxy-1-methylbenzo[g]pteridin-10-ium-2,4-dione; hydrogen sulfate, 10-[2-(diethylamino)ethyl]-8-methoxy-1-methyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium hydrogen sulfate, 10-[2-(diethylamino)ethyl]-8-methoxy-1-methylbenzo[g]pteridin-10-ium-2,4-dione
| Molecular Formula | C18H25N5O7S |
| Molecular Weight | 455.14746 g/mol |
| XLogP | -0.58 |
| Topological Polar Surface Area (TPSA) | 164.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.14746 Da |
| Heavy Atoms | 31 |
| Complexity | 603.0 |
| SMILES | CCN(CC)CC[N+]1=C2C(=NC3=C1C=C(C=C3)OC)C(=O)NC(=O)N2C.OS(=O)(=O)[O-] |
| InChIKey | LFPSINRZRRXYQS-UHFFFAOYSA-N |
The XLogP value of -0.58 indicates that Isoalloxazine, 10-(2-(diethylamino)ethyl)-8-methoxy-7-methyl-, sulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 164.0 Ų indicates high polarity, suggesting Isoalloxazine, 10-(2-(diethylamino)ethyl)-8-methoxy-7-methyl-, sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isoalloxazine, 10-(2-(diethylamino)ethyl)-8-methoxy-7-methyl-, sulfate has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Isoalloxazine, 10-(2-(diethylamino)ethyl)-8-methoxy-7-methyl-, sulfate is 101652-09-9.
The molecular formula of Isoalloxazine, 10-(2-(diethylamino)ethyl)-8-methoxy-7-methyl-, sulfate is C18H25N5O7S.
The molecular weight of Isoalloxazine, 10-(2-(diethylamino)ethyl)-8-methoxy-7-methyl-, sulfate is 455.14746 g/mol.
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