TL;DR: Luteolin 3',4'-dimethyl ether-7-O-beta-D-methylglucuronide (CAS 126005-95-6) is a chemical compound with molecular formula C24H24O12 and molecular weight 504.12677 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S,3S,4S,5R,6S)-6-[2-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
Also Known As: Luteolin 3',4'-dimethyl ether-7-O-beta-D-methylglucuronide, beta-D-Glucopyranosiduronic acid, 2-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl, methyl ester, 2-(3,4-Dimethoxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl methyl hexopyranosiduronate, 2-(3,4-Dimethoxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl methyl beta-D-glucopyranosiduronate, b-D-Glucopyranosiduronic acid,2-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxo-4H-1-benzopyran-7-yl, methyl ester
| Molecular Formula | C24H24O12 |
| Molecular Weight | 504.12677 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 170.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 504.12677 Da |
| Heavy Atoms | 36 |
| Complexity | 832.0 |
| SMILES | COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)OC)O)O)O)O)OC |
| InChIKey | IDOSSZVOQVXMNH-QMDPOKHVSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Luteolin 3',4'-dimethyl ether-7-O-beta-D-methylglucuronide. The TPSA of 170.0 Ų indicates high polarity, suggesting Luteolin 3',4'-dimethyl ether-7-O-beta-D-methylglucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Luteolin 3',4'-dimethyl ether-7-O-beta-D-methylglucuronide has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Luteolin 3',4'-dimethyl ether-7-O-beta-D-methylglucuronide is 126005-95-6.
The molecular formula of Luteolin 3',4'-dimethyl ether-7-O-beta-D-methylglucuronide is C24H24O12.
The molecular weight of Luteolin 3',4'-dimethyl ether-7-O-beta-D-methylglucuronide is 504.12677 g/mol.
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