2-Bromo-5,5-dimethyl-3-((2-nitrophenyl)amino)cyclohex-2-EN-1-one
TL;DR: 2-Bromo-5,5-dimethyl-3-((2-nitrophenyl)amino)cyclohex-2-EN-1-one (CAS 1274892-27-1) is a chemical compound with molecular formula C14H15BrN2O3 and molecular weight 338.0266 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-5,5-dimethyl-3-(2-nitroanilino)cyclohex-2-en-1-one
Also Known As: 2-bromo-5,5-dimethyl-3-(2-nitroanilino)cyclohex-2-en-1-one, 2-BROMO-5,5-DIMETHYL-3-((2-NITROPHENYL)AMINO)CYCLOHEX-2-EN-1-ONE, 2-bromo-5,5-dimethyl-3-[(2-nitrophenyl)amino]cyclohex-2-en-1-one
Technical Specifications
| Molecular Formula | C14H15BrN2O3 |
| Molecular Weight | 338.0266 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.0266 Da |
| Heavy Atoms | 20 |
| Complexity | 454.0 |
| SMILES | CC1(CC(=C(C(=O)C1)Br)NC2=CC=CC=C2[N+](=O)[O-])C |
| InChIKey | WVRCPBAGPOWMPB-UHFFFAOYSA-N |
Chemical Property Profile of 2-Bromo-5,5-dimethyl-3-((2-nitrophenyl)amino)cyclohex-2-EN-1-one
Property Insights of 2-Bromo-5,5-dimethyl-3-((2-nitrophenyl)amino)cyclohex-2-EN-1-one
The XLogP value of 4.3 indicates that 2-Bromo-5,5-dimethyl-3-((2-nitrophenyl)amino)cyclohex-2-EN-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-5,5-dimethyl-3-((2-nitrophenyl)amino)cyclohex-2-EN-1-one. Following Lipinski's Rule of Five, 2-Bromo-5,5-dimethyl-3-((2-nitrophenyl)amino)cyclohex-2-EN-1-one 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
What is the CAS number of 2-Bromo-5,5-dimethyl-3-((2-nitrophenyl)amino)cyclohex-2-EN-1-one?
The CAS number of 2-Bromo-5,5-dimethyl-3-((2-nitrophenyl)amino)cyclohex-2-EN-1-one is 1274892-27-1.
What is the molecular formula of 2-Bromo-5,5-dimethyl-3-((2-nitrophenyl)amino)cyclohex-2-EN-1-one?
The molecular formula of 2-Bromo-5,5-dimethyl-3-((2-nitrophenyl)amino)cyclohex-2-EN-1-one is C14H15BrN2O3.
What is the molecular weight of 2-Bromo-5,5-dimethyl-3-((2-nitrophenyl)amino)cyclohex-2-EN-1-one?
The molecular weight of 2-Bromo-5,5-dimethyl-3-((2-nitrophenyl)amino)cyclohex-2-EN-1-one is 338.0266 g/mol.
Where can I buy 2-Bromo-5,5-dimethyl-3-((2-nitrophenyl)amino)cyclohex-2-EN-1-one?
You can request a quote for 2-Bromo-5,5-dimethyl-3-((2-nitrophenyl)amino)cyclohex-2-EN-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Bromo-5,5-dimethyl-3-((2-nitrophenyl)amino)cyclohex-2-EN-1-one?
Yes, CoreyChem provides custom synthesis services for 2-Bromo-5,5-dimethyl-3-((2-nitrophenyl)amino)cyclohex-2-EN-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.