2,4-Diacetyl-3-(3,4-dimethoxyphenyl)-5-hydroxy-5-methylcyclohexan-1-one
TL;DR: 2,4-Diacetyl-3-(3,4-dimethoxyphenyl)-5-hydroxy-5-methylcyclohexan-1-one (CAS 471260-01-2) is a chemical compound with molecular formula C19H24O6 and molecular weight 348.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-diacetyl-3-(3,4-dimethoxyphenyl)-5-hydroxy-5-methylcyclohexan-1-one
Also Known As: BAS 00552857, AB00096961-01, 2,4-diacetyl-3-(3,4-dimethoxyphenyl)-5-hydroxy-5-methylcyclohexan-1-one, 2,4-Diacetyl-3-(3,4-dimethoxy-phenyl)-5-hydroxy-5-methyl-cyclohexanone, 2,4-Diacetyl-3-(3,4-dimethoxyphenyl)-5-hydroxy-5-methylcyclohexanone
| Molecular Formula | C19H24O6 |
|---|---|
| Molecular Weight | 348.16 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.1573 |
| Heavy Atoms | 25 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 471260-01-2 |
|---|---|
| SMILES | CC(=O)C1C(C(C(CC1=O)(C)O)C(=O)C)C2=CC(=C(C=C2)OC)OC |
| InChIKey | ISBHDKJASSZWAM-UHFFFAOYSA-N |
Product Overview
2,4-Diacetyl-3-(3,4-dimethoxyphenyl)-5-hydroxy-5-methylcyclohexan-1-one (CAS 471260-01-2), with molecular formula C19H24O6 and molecular weight 348.16 g/mol. IUPAC: 2,4-diacetyl-3-(3,4-dimethoxyphenyl)-5-hydroxy-5-methylcyclohexan-1-one.
Chemical Property Profile of 2,4-Diacetyl-3-(3,4-dimethoxyphenyl)-5-hydroxy-5-methylcyclohexan-1-one
Property Insights of 2,4-Diacetyl-3-(3,4-dimethoxyphenyl)-5-hydroxy-5-methylcyclohexan-1-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Diacetyl-3-(3,4-dimethoxyphenyl)-5-hydroxy-5-methylcyclohexan-1-one. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Diacetyl-3-(3,4-dimethoxyphenyl)-5-hydroxy-5-methylcyclohexan-1-one. Following Lipinski's Rule of Five, 2,4-Diacetyl-3-(3,4-dimethoxyphenyl)-5-hydroxy-5-methylcyclohexan-1-one has 1 hydrogen bond donor(s) and 6 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-3-(3,4-dimethoxyphenyl)-5-hydroxy-5-methylcyclohexan-1-one?
The CAS number of 2,4-Diacetyl-3-(3,4-dimethoxyphenyl)-5-hydroxy-5-methylcyclohexan-1-one is 471260-01-2.
What is the molecular formula of 2,4-Diacetyl-3-(3,4-dimethoxyphenyl)-5-hydroxy-5-methylcyclohexan-1-one?
The molecular formula of 2,4-Diacetyl-3-(3,4-dimethoxyphenyl)-5-hydroxy-5-methylcyclohexan-1-one is C19H24O6.
What is the molecular weight of 2,4-Diacetyl-3-(3,4-dimethoxyphenyl)-5-hydroxy-5-methylcyclohexan-1-one?
The molecular weight of 2,4-Diacetyl-3-(3,4-dimethoxyphenyl)-5-hydroxy-5-methylcyclohexan-1-one is 348.16 g/mol.
Where can I buy 2,4-Diacetyl-3-(3,4-dimethoxyphenyl)-5-hydroxy-5-methylcyclohexan-1-one?
You can request a quote for 2,4-Diacetyl-3-(3,4-dimethoxyphenyl)-5-hydroxy-5-methylcyclohexan-1-one 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-3-(3,4-dimethoxyphenyl)-5-hydroxy-5-methylcyclohexan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Diacetyl-3-(3,4-dimethoxyphenyl)-5-hydroxy-5-methylcyclohexan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.