1,3-Cyclohexanedione, 2-(4-chloro-2-nitrobenzoyl)-
TL;DR: 1,3-Cyclohexanedione, 2-(4-chloro-2-nitrobenzoyl)- (CAS 115722-30-0) is a chemical compound with molecular formula C13H10ClNO5 and molecular weight 295.02475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chloro-2-nitrobenzoyl)cyclohexane-1,3-dione
Also Known As: 3,4-Diphenyl-anilin, 2-(4-chloro-2-nitrobenzoyl)cyclohexane-1,3-dione, 1,3-Cyclohexanedione, 2-(4-chloro-2-nitrobenzoyl)-, J2.466.484H, 1,3-Cyclohexanedione,2-(4-chloro-2-nitrobenzoyl)-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H10ClNO5 |
| Molecular Weight | 295.02475 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 97.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.02475 Da |
| Heavy Atoms | 20 |
| Complexity | 442.0 |
| SMILES | C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | LSFHRPFXBDQLES-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Cyclohexanedione, 2-(4-chloro-2-nitrobenzoyl)-
Property Insights of 1,3-Cyclohexanedione, 2-(4-chloro-2-nitrobenzoyl)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Cyclohexanedione, 2-(4-chloro-2-nitrobenzoyl)-. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Cyclohexanedione, 2-(4-chloro-2-nitrobenzoyl)-. Following Lipinski's Rule of Five, 1,3-Cyclohexanedione, 2-(4-chloro-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, 2-(4-chloro-2-nitrobenzoyl)-?
The CAS number of 1,3-Cyclohexanedione, 2-(4-chloro-2-nitrobenzoyl)- is 115722-30-0.
What is the molecular formula of 1,3-Cyclohexanedione, 2-(4-chloro-2-nitrobenzoyl)-?
The molecular formula of 1,3-Cyclohexanedione, 2-(4-chloro-2-nitrobenzoyl)- is C13H10ClNO5.
What is the molecular weight of 1,3-Cyclohexanedione, 2-(4-chloro-2-nitrobenzoyl)-?
The molecular weight of 1,3-Cyclohexanedione, 2-(4-chloro-2-nitrobenzoyl)- is 295.02475 g/mol.
Where can I buy 1,3-Cyclohexanedione, 2-(4-chloro-2-nitrobenzoyl)-?
You can request a quote for 1,3-Cyclohexanedione, 2-(4-chloro-2-nitrobenzoyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Cyclohexanedione, 2-(4-chloro-2-nitrobenzoyl)-?
Yes, CoreyChem provides custom synthesis services for 1,3-Cyclohexanedione, 2-(4-chloro-2-nitrobenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.