TL;DR: AQ-149/41675235 (CAS 1005280-38-5) is a chemical compound with molecular formula C25H37NO6 and molecular weight 447.2621 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(2-methylpropyl) 2-[4-(dimethylamino)phenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Also Known As: AQ-149/41675235, bis(2-methylpropyl) 2-[4-(dimethylamino)phenyl]-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, diisobutyl 2-[4-(dimethylamino)phenyl]-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate, 1,3-BIS(2-METHYLPROPYL) 2-[4-(DIMETHYLAMINO)PHENYL]-4-HYDROXY-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE, bis(2-methylpropyl) 2-(4-dimethylaminophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
| Molecular Formula | C25H37NO6 |
| Molecular Weight | 447.2621 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 93.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 447.2621 Da |
| Heavy Atoms | 32 |
| Complexity | 667.0 |
| SMILES | CC(C)COC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC(C)C)C2=CC=C(C=C2)N(C)C |
| InChIKey | KAHRRBTTZSYVLT-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that AQ-149/41675235 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-149/41675235. Following Lipinski's Rule of Five, AQ-149/41675235 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of AQ-149/41675235 is 1005280-38-5.
The molecular formula of AQ-149/41675235 is C25H37NO6.
The molecular weight of AQ-149/41675235 is 447.2621 g/mol.
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