TL;DR: 6-Galloylglucose (CAS 21271-21-6) is a chemical compound with molecular formula C17H19BrN4O2 and molecular weight 390.06915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(dimethylamino)ethoxy]-3-phenylpyrazino[1,2-a]pyrimidin-4-one;hydrobromide
Also Known As: 6-Galloylglucose, Quinoxaline,hexafluoro, H-PRO-LEU-GLY-GLY-OH, 4H-Pyrazino(1,2-a)pyrimidin-4-one, 2-(2-dimethylaminoethoxy)-3-phenyl-, hydrobromide, 2- -3-phenyl-4H-pyrazino pyrimidin-4-onehydrobromide
| Molecular Formula | C17H19BrN4O2 |
| Molecular Weight | 390.06915 g/mol |
| XLogP | 2.27 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.06915 Da |
| Heavy Atoms | 24 |
| Complexity | 583.0 |
| SMILES | CN(C)CCOC1=C(C(=O)N2C=CN=CC2=N1)C3=CC=CC=C3.Br |
| InChIKey | NADLOUKASJSMIH-UHFFFAOYSA-N |
The XLogP value of 2.27 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Galloylglucose. With a topological polar surface area (TPSA) of 57.5 Ų, 6-Galloylglucose exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Galloylglucose has 1 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 6-Galloylglucose is 21271-21-6.
The molecular formula of 6-Galloylglucose is C17H19BrN4O2.
The molecular weight of 6-Galloylglucose is 390.06915 g/mol.
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