TL;DR: diisobutyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate (CAS 1005150-13-9) is a chemical compound with molecular formula C25H34O8 and molecular weight 462.22537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
bis(2-methylpropyl) 4-hydroxy-2-(4-methoxycarbonylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Also Known As: diisobutyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate, AQ-149/41675237, bis(2-methylpropyl) 4-hydroxy-2-(4-methoxycarbonylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, bis(2-methylpropyl) 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, diisobutyl 4-hydroxy-2-(4-(methoxycarbonyl)phenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
| Molecular Formula | C25H34O8 |
| Molecular Weight | 462.22537 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 462.22537 Da |
| Heavy Atoms | 33 |
| Complexity | 722.0 |
| SMILES | CC(C)COC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC(C)C)C2=CC=C(C=C2)C(=O)OC |
| InChIKey | KCYAMSVWSIIKMK-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that diisobutyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for diisobutyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate. Following Lipinski's Rule of Five, diisobutyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of diisobutyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate is 1005150-13-9.
The molecular formula of diisobutyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate is C25H34O8.
The molecular weight of diisobutyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate is 462.22537 g/mol.
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