TL;DR: Isoalloxazine, 7-chloro-10-(3-(bis(2-hydroxyethyl)amino)propyl)-, sulfate (CAS 101651-88-1) is a chemical compound with molecular formula C17H22ClN5O8S and molecular weight 491.08777 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(7-chloro-2,4-dioxobenzo[g]pteridin-10-yl)propyl-bis(2-hydroxyethyl)azanium;hydrogen sulfate
Also Known As: 10-(3-(Bis(2-hydroxyethyl)amino)propyl)-7-chloroisoalloxazine sulfate, ISOALLOXAZINE, 7-CHLORO-10-(3-(BIS(2-HYDROXYETHYL)AMINO)PROPYL)-, SULFATE, 3-(7-Chloro-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-N,N-bis(2-hydroxyethyl)propan-1-aminium hydrogen sulfate, 3-(7-chloro-2,4-dioxobenzo[g]pteridin-10-yl)propyl-bis(2-hydroxyethyl)azanium; hydrogen sulfate
| Molecular Formula | C17H22ClN5O8S |
| Molecular Weight | 491.08777 g/mol |
| XLogP | -2.5 |
| Topological Polar Surface Area (TPSA) | 205.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.08777 Da |
| Heavy Atoms | 32 |
| Complexity | 711.0 |
| SMILES | C1=CC2=C(C=C1Cl)N=C3C(=O)NC(=O)N=C3N2CCC[NH+](CCO)CCO.OS(=O)(=O)[O-] |
| InChIKey | JOVPXVSWLLIEKQ-UHFFFAOYSA-N |
The XLogP value of -2.5 indicates that Isoalloxazine, 7-chloro-10-(3-(bis(2-hydroxyethyl)amino)propyl)-, sulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 205.0 Ų indicates high polarity, suggesting Isoalloxazine, 7-chloro-10-(3-(bis(2-hydroxyethyl)amino)propyl)-, sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isoalloxazine, 7-chloro-10-(3-(bis(2-hydroxyethyl)amino)propyl)-, sulfate has 5 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, 7-chloro-10-(3-(bis(2-hydroxyethyl)amino)propyl)-, sulfate is 101651-88-1.
The molecular formula of Isoalloxazine, 7-chloro-10-(3-(bis(2-hydroxyethyl)amino)propyl)-, sulfate is C17H22ClN5O8S.
The molecular weight of Isoalloxazine, 7-chloro-10-(3-(bis(2-hydroxyethyl)amino)propyl)-, sulfate is 491.08777 g/mol.
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