![2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(6-nitro-1,3-benzodioxol-5-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione structure](/static/products/3142/314282-22-9.webp)
2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(6-nitro-1,3-benzodioxol-5-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione
TL;DR: 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(6-nitro-1,3-benzodioxol-5-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione (CAS 314282-22-9) is a chemical compound with molecular formula C24H27NO8 and molecular weight 457.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(6-nitro-1,3-benzodioxol-5-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(6-nitro-1,3-benzodioxol-5-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione, 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(6-nitro-1,3-benzodioxol-5-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione, 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(6-nitro-1,3-benzodioxol-5-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione, 2-[(6-hydroxy-4,4-dimethyl-2-oxocyclohex-1(6)-enyl)(6-nitro(2H-benzo[d]1,3-dio xolen-5-yl))methyl]-5,5-dimethylcyclohexane-1,3-dione
| Molecular Formula | C24H27NO8 |
|---|---|
| Molecular Weight | 457.17 g/mol |
| LogP | 4.1827 |
| Topological Polar Surface Area | 133.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 457.17368 |
| Heavy Atoms | 33 |
| Complexity | 1093.7062 |
Chemical Identifiers
| CAS Number | 314282-22-9 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C4=C(CC(CC4=O)(C)C)O)C |
Product Overview
2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(6-nitro-1,3-benzodioxol-5-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione (CAS 314282-22-9), with molecular formula C24H27NO8 and molecular weight 457.17 g/mol. IUPAC: 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(6-nitro-1,3-benzodioxol-5-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(6-nitro-1,3-benzodioxol-5-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione
Property Insights of 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(6-nitro-1,3-benzodioxol-5-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione
The XLogP value of 4.1827 indicates that 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(6-nitro-1,3-benzodioxol-5-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(6-nitro-1,3-benzodioxol-5-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione. Following Lipinski's Rule of Five, 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(6-nitro-1,3-benzodioxol-5-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione has 1 hydrogen bond donor(s) and 8 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-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(6-nitro-1,3-benzodioxol-5-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione?
The CAS number of 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(6-nitro-1,3-benzodioxol-5-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione is 314282-22-9.
What is the molecular formula of 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(6-nitro-1,3-benzodioxol-5-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione?
The molecular formula of 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(6-nitro-1,3-benzodioxol-5-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione is C24H27NO8.
What is the molecular weight of 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(6-nitro-1,3-benzodioxol-5-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione?
The molecular weight of 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(6-nitro-1,3-benzodioxol-5-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione is 457.17 g/mol.
Where can I buy 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(6-nitro-1,3-benzodioxol-5-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione?
You can request a quote for 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(6-nitro-1,3-benzodioxol-5-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(6-nitro-1,3-benzodioxol-5-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(6-nitro-1,3-benzodioxol-5-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.