TL;DR: AQ-149/41675232 (CAS 1005106-18-2) is a chemical compound with molecular formula C27H40O6 and molecular weight 460.2825 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(2-methylpropyl) 2-(4-tert-butylphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Also Known As: AQ-149/41675232, bis(2-methylpropyl) 2-(4-tert-butylphenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, diisobutyl 2-(4-(tert-butyl)phenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, diisobutyl 2-(4-tert-butylphenyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate, diisobutyl 2-[4-(tert-butyl)phenyl]-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate
| Molecular Formula | C27H40O6 |
| Molecular Weight | 460.2825 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 460.2825 Da |
| Heavy Atoms | 33 |
| Complexity | 698.0 |
| SMILES | CC(C)COC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC(C)C)C2=CC=C(C=C2)C(C)(C)C |
| InChIKey | ICIVDNVOXDDQQT-UHFFFAOYSA-N |
The XLogP value of 5.9 indicates that AQ-149/41675232 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-149/41675232. Following Lipinski's Rule of Five, AQ-149/41675232 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of AQ-149/41675232 is 1005106-18-2.
The molecular formula of AQ-149/41675232 is C27H40O6.
The molecular weight of AQ-149/41675232 is 460.2825 g/mol.
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