Diisobutyl 4-hydroxy-4-methyl-6-oxo-2-pyridin-3-ylcyclohexane-1,3-dicarboxylate
TL;DR: Diisobutyl 4-hydroxy-4-methyl-6-oxo-2-pyridin-3-ylcyclohexane-1,3-dicarboxylate (CAS 1005066-47-6) is a chemical compound with molecular formula C22H31NO6 and molecular weight 405.21515 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-pyridin-3-ylcyclohexane-1,3-dicarboxylate
Also Known As: AB00408106-11, AQ-149/41675243, diisobutyl 4-hydroxy-4-methyl-6-oxo-2-pyridin-3-ylcyclohexane-1,3-dicarboxylate, bis(2-methylpropyl) 4-hydroxy-4-methyl-6-oxo-2-pyridin-3-ylcyclohexane-1,3-dicarboxylate, diisobutyl 4-hydroxy-4-methyl-6-oxo-2-(pyridin-3-yl)cyclohexane-1,3-dicarboxylate
Technical Specifications
| Molecular Formula | C22H31NO6 |
| Molecular Weight | 405.21515 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 405.21515 Da |
| Heavy Atoms | 29 |
| Complexity | 604.0 |
| SMILES | CC(C)COC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC(C)C)C2=CN=CC=C2 |
| InChIKey | LMKUOKKDOOIZLE-UHFFFAOYSA-N |
Chemical Property Profile of Diisobutyl 4-hydroxy-4-methyl-6-oxo-2-pyridin-3-ylcyclohexane-1,3-dicarboxylate
Property Insights of Diisobutyl 4-hydroxy-4-methyl-6-oxo-2-pyridin-3-ylcyclohexane-1,3-dicarboxylate
The XLogP value of 3.1 indicates that Diisobutyl 4-hydroxy-4-methyl-6-oxo-2-pyridin-3-ylcyclohexane-1,3-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diisobutyl 4-hydroxy-4-methyl-6-oxo-2-pyridin-3-ylcyclohexane-1,3-dicarboxylate. Following Lipinski's Rule of Five, Diisobutyl 4-hydroxy-4-methyl-6-oxo-2-pyridin-3-ylcyclohexane-1,3-dicarboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diisobutyl 4-hydroxy-4-methyl-6-oxo-2-pyridin-3-ylcyclohexane-1,3-dicarboxylate?
The CAS number of Diisobutyl 4-hydroxy-4-methyl-6-oxo-2-pyridin-3-ylcyclohexane-1,3-dicarboxylate is 1005066-47-6.
What is the molecular formula of Diisobutyl 4-hydroxy-4-methyl-6-oxo-2-pyridin-3-ylcyclohexane-1,3-dicarboxylate?
The molecular formula of Diisobutyl 4-hydroxy-4-methyl-6-oxo-2-pyridin-3-ylcyclohexane-1,3-dicarboxylate is C22H31NO6.
What is the molecular weight of Diisobutyl 4-hydroxy-4-methyl-6-oxo-2-pyridin-3-ylcyclohexane-1,3-dicarboxylate?
The molecular weight of Diisobutyl 4-hydroxy-4-methyl-6-oxo-2-pyridin-3-ylcyclohexane-1,3-dicarboxylate is 405.21515 g/mol.
Where can I buy Diisobutyl 4-hydroxy-4-methyl-6-oxo-2-pyridin-3-ylcyclohexane-1,3-dicarboxylate?
You can request a quote for Diisobutyl 4-hydroxy-4-methyl-6-oxo-2-pyridin-3-ylcyclohexane-1,3-dicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diisobutyl 4-hydroxy-4-methyl-6-oxo-2-pyridin-3-ylcyclohexane-1,3-dicarboxylate?
Yes, CoreyChem provides custom synthesis services for Diisobutyl 4-hydroxy-4-methyl-6-oxo-2-pyridin-3-ylcyclohexane-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.