TL;DR: AQ-149/41675219 (CAS 1005046-26-3) is a chemical compound with molecular formula C23H32O6 and molecular weight 404.21988 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(2-methylpropyl) 4-hydroxy-4-methyl-6-oxo-2-phenylcyclohexane-1,3-dicarboxylate
Also Known As: AQ-149/41675219, bis(2-methylpropyl) 4-hydroxy-4-methyl-6-oxo-2-phenylcyclohexane-1,3-dicarboxylate, diisobutyl 4-hydroxy-4-methyl-6-oxo-2-phenyl-1,3-cyclohexanedicarboxylate, DIISOBUTYL 4-HYDROXY-4-METHYL-6-OXO-2-PHENYLCYCLOHEXANE-1,3-DICARBOXYLATE
| Molecular Formula | C23H32O6 |
| Molecular Weight | 404.21988 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 404.21988 Da |
| Heavy Atoms | 29 |
| Complexity | 592.0 |
| SMILES | CC(C)COC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC(C)C)C2=CC=CC=C2 |
| InChIKey | BRGRVHJIWQXPQK-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that AQ-149/41675219 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-149/41675219. Following Lipinski's Rule of Five, AQ-149/41675219 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of AQ-149/41675219 is 1005046-26-3.
The molecular formula of AQ-149/41675219 is C23H32O6.
The molecular weight of AQ-149/41675219 is 404.21988 g/mol.
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