1,3-Cyclohexanedione, 4,4-dimethyl-2-(2-nitrobenzoyl)-
TL;DR: 1,3-Cyclohexanedione, 4,4-dimethyl-2-(2-nitrobenzoyl)- (CAS 104206-61-3) is a chemical compound with molecular formula C15H15NO5 and molecular weight 289.09503 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4-dimethyl-2-(2-nitrobenzoyl)cyclohexane-1,3-dione
Also Known As: Sc 0774, 1,3-Cyclohexanedione, 4,4-dimethyl-2-(2-nitrobenzoyl)-, 4,4-Dimethyl-2-(2-nitrobenzoyl)-1,3-cyclohexanedione, 4,4-dimethyl-2-(2-nitrobenzoyl)cyclohexane-1,3-dione
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H15NO5 |
| Molecular Weight | 289.09503 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 97.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.09503 Da |
| Heavy Atoms | 21 |
| Complexity | 491.0 |
| SMILES | CC1(CCC(=O)C(C1=O)C(=O)C2=CC=CC=C2[N+](=O)[O-])C |
| InChIKey | GBCCAVJIOHCZPZ-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Cyclohexanedione, 4,4-dimethyl-2-(2-nitrobenzoyl)-
Property Insights of 1,3-Cyclohexanedione, 4,4-dimethyl-2-(2-nitrobenzoyl)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Cyclohexanedione, 4,4-dimethyl-2-(2-nitrobenzoyl)-. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Cyclohexanedione, 4,4-dimethyl-2-(2-nitrobenzoyl)-. Following Lipinski's Rule of Five, 1,3-Cyclohexanedione, 4,4-dimethyl-2-(2-nitrobenzoyl)- has 0 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 1,3-Cyclohexanedione, 4,4-dimethyl-2-(2-nitrobenzoyl)-?
The CAS number of 1,3-Cyclohexanedione, 4,4-dimethyl-2-(2-nitrobenzoyl)- is 104206-61-3.
What is the molecular formula of 1,3-Cyclohexanedione, 4,4-dimethyl-2-(2-nitrobenzoyl)-?
The molecular formula of 1,3-Cyclohexanedione, 4,4-dimethyl-2-(2-nitrobenzoyl)- is C15H15NO5.
What is the molecular weight of 1,3-Cyclohexanedione, 4,4-dimethyl-2-(2-nitrobenzoyl)-?
The molecular weight of 1,3-Cyclohexanedione, 4,4-dimethyl-2-(2-nitrobenzoyl)- is 289.09503 g/mol.
Where can I buy 1,3-Cyclohexanedione, 4,4-dimethyl-2-(2-nitrobenzoyl)-?
You can request a quote for 1,3-Cyclohexanedione, 4,4-dimethyl-2-(2-nitrobenzoyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Cyclohexanedione, 4,4-dimethyl-2-(2-nitrobenzoyl)-?
Yes, CoreyChem provides custom synthesis services for 1,3-Cyclohexanedione, 4,4-dimethyl-2-(2-nitrobenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.