2,4-Diacetyl-5-hydroxy-3,5-dimethylcyclohexanone
TL;DR: 2,4-Diacetyl-5-hydroxy-3,5-dimethylcyclohexanone (CAS 42198-74-3) is a chemical compound with molecular formula C12H18O4 and molecular weight 226.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-diacetyl-5-hydroxy-3,5-dimethylcyclohexan-1-one
Also Known As: 2,4-diacetyl-5-hydroxy-3,5-dimethylcyclohexan-1-one, 2,4-diacetyl-5-hydroxy-3,5-dimethylcyclohexanone, 2,4-diacetyl-5-hydroxy-3,5-dimethyl-cyclohexan-1-one, 1,1'-(4-hydroxy-2,4-dimethyl-6-oxocyclohexane-1,3-diyl)diethanone
| Molecular Formula | C12H18O4 |
|---|---|
| Molecular Weight | 226.12 g/mol |
| LogP | 0.7567 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.12051 |
| Heavy Atoms | 16 |
| Complexity | 342.92792 |
Chemical Identifiers
| CAS Number | 42198-74-3 |
|---|---|
| SMILES | CC1C(C(=O)CC(C1C(=O)C)(C)O)C(=O)C |
Product Overview
2,4-Diacetyl-5-hydroxy-3,5-dimethylcyclohexanone (CAS 42198-74-3), with molecular formula C12H18O4 and molecular weight 226.12 g/mol. IUPAC: 2,4-diacetyl-5-hydroxy-3,5-dimethylcyclohexan-1-one.
Chemical Property Profile of 2,4-Diacetyl-5-hydroxy-3,5-dimethylcyclohexanone
Property Insights of 2,4-Diacetyl-5-hydroxy-3,5-dimethylcyclohexanone
The XLogP value of 0.7567 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Diacetyl-5-hydroxy-3,5-dimethylcyclohexanone. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Diacetyl-5-hydroxy-3,5-dimethylcyclohexanone. Following Lipinski's Rule of Five, 2,4-Diacetyl-5-hydroxy-3,5-dimethylcyclohexanone 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
Frequently Asked Questions
What is the CAS number of 2,4-Diacetyl-5-hydroxy-3,5-dimethylcyclohexanone?
The CAS number of 2,4-Diacetyl-5-hydroxy-3,5-dimethylcyclohexanone is 42198-74-3.
What is the molecular formula of 2,4-Diacetyl-5-hydroxy-3,5-dimethylcyclohexanone?
The molecular formula of 2,4-Diacetyl-5-hydroxy-3,5-dimethylcyclohexanone is C12H18O4.
What is the molecular weight of 2,4-Diacetyl-5-hydroxy-3,5-dimethylcyclohexanone?
The molecular weight of 2,4-Diacetyl-5-hydroxy-3,5-dimethylcyclohexanone is 226.12 g/mol.
Where can I buy 2,4-Diacetyl-5-hydroxy-3,5-dimethylcyclohexanone?
You can request a quote for 2,4-Diacetyl-5-hydroxy-3,5-dimethylcyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Diacetyl-5-hydroxy-3,5-dimethylcyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Diacetyl-5-hydroxy-3,5-dimethylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.