2,4-Diacetyl-3-(4-ethylphenyl)-5-hydroxy-5-methylcyclohexanone
TL;DR: 2,4-Diacetyl-3-(4-ethylphenyl)-5-hydroxy-5-methylcyclohexanone (CAS 1005127-57-0) is a chemical compound with molecular formula C19H24O4 and molecular weight 316.16745 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-diacetyl-3-(4-ethylphenyl)-5-hydroxy-5-methylcyclohexan-1-one
Also Known As: AB01316736-02, 2,4-diacetyl-3-(4-ethylphenyl)-5-hydroxy-5-methylcyclohexanone, 2,4-diacetyl-3-(4-ethylphenyl)-5-hydroxy-5-methylcyclohexan-1-one, 2,4-diacetyl-5-hydroxy-5-methyl-3-(4-ethyl-phenyl)cyclohexanone, 2,4-diacetyl-3-(4-ethylphenyl)-5-hydroxy-5-methyl-cyclohexan-1-one
Technical Specifications
| Molecular Formula | C19H24O4 |
| Molecular Weight | 316.16745 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.16745 Da |
| Heavy Atoms | 23 |
| Complexity | 490.0 |
| SMILES | CCC1=CC=C(C=C1)C2C(C(=O)CC(C2C(=O)C)(C)O)C(=O)C |
| InChIKey | KRBJNKWHYJLNPB-UHFFFAOYSA-N |
Chemical Property Profile of 2,4-Diacetyl-3-(4-ethylphenyl)-5-hydroxy-5-methylcyclohexanone
Property Insights of 2,4-Diacetyl-3-(4-ethylphenyl)-5-hydroxy-5-methylcyclohexanone
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Diacetyl-3-(4-ethylphenyl)-5-hydroxy-5-methylcyclohexanone. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Diacetyl-3-(4-ethylphenyl)-5-hydroxy-5-methylcyclohexanone. Following Lipinski's Rule of Five, 2,4-Diacetyl-3-(4-ethylphenyl)-5-hydroxy-5-methylcyclohexanone has 1 hydrogen bond donor(s) and 4 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-3-(4-ethylphenyl)-5-hydroxy-5-methylcyclohexanone?
The CAS number of 2,4-Diacetyl-3-(4-ethylphenyl)-5-hydroxy-5-methylcyclohexanone is 1005127-57-0.
What is the molecular formula of 2,4-Diacetyl-3-(4-ethylphenyl)-5-hydroxy-5-methylcyclohexanone?
The molecular formula of 2,4-Diacetyl-3-(4-ethylphenyl)-5-hydroxy-5-methylcyclohexanone is C19H24O4.
What is the molecular weight of 2,4-Diacetyl-3-(4-ethylphenyl)-5-hydroxy-5-methylcyclohexanone?
The molecular weight of 2,4-Diacetyl-3-(4-ethylphenyl)-5-hydroxy-5-methylcyclohexanone is 316.16745 g/mol.
Where can I buy 2,4-Diacetyl-3-(4-ethylphenyl)-5-hydroxy-5-methylcyclohexanone?
You can request a quote for 2,4-Diacetyl-3-(4-ethylphenyl)-5-hydroxy-5-methylcyclohexanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-Diacetyl-3-(4-ethylphenyl)-5-hydroxy-5-methylcyclohexanone?
Yes, CoreyChem provides custom synthesis services for 2,4-Diacetyl-3-(4-ethylphenyl)-5-hydroxy-5-methylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.