Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(3-pyridinyl)-1,3-cyclohexanedicarboxylate
TL;DR: Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(3-pyridinyl)-1,3-cyclohexanedicarboxylate (CAS 1005240-79-8) is a chemical compound with molecular formula C16H19NO6 and molecular weight 321.12125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 4-hydroxy-4-methyl-6-oxo-2-pyridin-3-ylcyclohexane-1,3-dicarboxylate
Also Known As: AQ-149/41368118, dimethyl 4-hydroxy-4-methyl-6-oxo-2-(3-pyridinyl)-1,3-cyclohexanedicarboxylate, dimethyl 4-hydroxy-4-methyl-6-oxo-2-pyridin-3-ylcyclohexane-1,3-dicarboxylate, dimethyl 4-hydroxy-4-methyl-6-oxo-2-(pyridin-3-yl)cyclohexane-1,3-dicarboxylate
Technical Specifications
| Molecular Formula | C16H19NO6 |
| Molecular Weight | 321.12125 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.12125 Da |
| Heavy Atoms | 23 |
| Complexity | 493.0 |
| SMILES | CC1(CC(=O)C(C(C1C(=O)OC)C2=CN=CC=C2)C(=O)OC)O |
| InChIKey | AIIYGGXNHFQOGB-UHFFFAOYSA-N |
Chemical Property Profile of Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(3-pyridinyl)-1,3-cyclohexanedicarboxylate
Property Insights of Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(3-pyridinyl)-1,3-cyclohexanedicarboxylate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(3-pyridinyl)-1,3-cyclohexanedicarboxylate. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(3-pyridinyl)-1,3-cyclohexanedicarboxylate. Following Lipinski's Rule of Five, Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(3-pyridinyl)-1,3-cyclohexanedicarboxylate 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 Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(3-pyridinyl)-1,3-cyclohexanedicarboxylate?
The CAS number of Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(3-pyridinyl)-1,3-cyclohexanedicarboxylate is 1005240-79-8.
What is the molecular formula of Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(3-pyridinyl)-1,3-cyclohexanedicarboxylate?
The molecular formula of Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(3-pyridinyl)-1,3-cyclohexanedicarboxylate is C16H19NO6.
What is the molecular weight of Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(3-pyridinyl)-1,3-cyclohexanedicarboxylate?
The molecular weight of Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(3-pyridinyl)-1,3-cyclohexanedicarboxylate is 321.12125 g/mol.
Where can I buy Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(3-pyridinyl)-1,3-cyclohexanedicarboxylate?
You can request a quote for Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(3-pyridinyl)-1,3-cyclohexanedicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(3-pyridinyl)-1,3-cyclohexanedicarboxylate?
Yes, CoreyChem provides custom synthesis services for Dimethyl 4-hydroxy-4-methyl-6-oxo-2-(3-pyridinyl)-1,3-cyclohexanedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.