2,4-Diacetyl-5-hydroxy-5-methyl-3-(3-pyridinyl)cyclohexanone
TL;DR: 2,4-Diacetyl-5-hydroxy-5-methyl-3-(3-pyridinyl)cyclohexanone (CAS 1185549-54-5) is a chemical compound with molecular formula C16H19NO4 and molecular weight 289.1314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-diacetyl-5-hydroxy-5-methyl-3-pyridin-3-ylcyclohexan-1-one
Also Known As: BAS 02239034, J2.956.388H, 2,4-diacetyl-5-hydroxy-5-methyl-3-(3-pyridinyl)cyclohexanone, 2,4-diacetyl-5-hydroxy-5-methyl-3-(pyrid-3-yl)cyclohexanone, 2,4-Diacetyl-5-hydroxy-5-methyl-3-pyridin-3-yl-cyclohexanone
Technical Specifications
| Molecular Formula | C16H19NO4 |
| Molecular Weight | 289.1314 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 84.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.1314 Da |
| Heavy Atoms | 21 |
| Complexity | 461.0 |
| SMILES | CC(=O)C1C(C(C(CC1=O)(C)O)C(=O)C)C2=CN=CC=C2 |
| InChIKey | ZJZDWFLRWJXMLK-UHFFFAOYSA-N |
Chemical Property Profile of 2,4-Diacetyl-5-hydroxy-5-methyl-3-(3-pyridinyl)cyclohexanone
Property Insights of 2,4-Diacetyl-5-hydroxy-5-methyl-3-(3-pyridinyl)cyclohexanone
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Diacetyl-5-hydroxy-5-methyl-3-(3-pyridinyl)cyclohexanone. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Diacetyl-5-hydroxy-5-methyl-3-(3-pyridinyl)cyclohexanone. Following Lipinski's Rule of Five, 2,4-Diacetyl-5-hydroxy-5-methyl-3-(3-pyridinyl)cyclohexanone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,4-Diacetyl-5-hydroxy-5-methyl-3-(3-pyridinyl)cyclohexanone?
The CAS number of 2,4-Diacetyl-5-hydroxy-5-methyl-3-(3-pyridinyl)cyclohexanone is 1185549-54-5.
What is the molecular formula of 2,4-Diacetyl-5-hydroxy-5-methyl-3-(3-pyridinyl)cyclohexanone?
The molecular formula of 2,4-Diacetyl-5-hydroxy-5-methyl-3-(3-pyridinyl)cyclohexanone is C16H19NO4.
What is the molecular weight of 2,4-Diacetyl-5-hydroxy-5-methyl-3-(3-pyridinyl)cyclohexanone?
The molecular weight of 2,4-Diacetyl-5-hydroxy-5-methyl-3-(3-pyridinyl)cyclohexanone is 289.1314 g/mol.
Where can I buy 2,4-Diacetyl-5-hydroxy-5-methyl-3-(3-pyridinyl)cyclohexanone?
You can request a quote for 2,4-Diacetyl-5-hydroxy-5-methyl-3-(3-pyridinyl)cyclohexanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-Diacetyl-5-hydroxy-5-methyl-3-(3-pyridinyl)cyclohexanone?
Yes, CoreyChem provides custom synthesis services for 2,4-Diacetyl-5-hydroxy-5-methyl-3-(3-pyridinyl)cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.