4-((2-Bromo-5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)benzoic acid
TL;DR: 4-((2-Bromo-5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)benzoic acid (CAS 159423-72-0) is a chemical compound with molecular formula C15H16BrNO3 and molecular weight 337.03137 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(2-bromo-5,5-dimethyl-3-oxocyclohexen-1-yl)amino]benzoic acid
Also Known As: 4-[(2-bromo-5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]benzoic Acid, 4-[(2-bromo-5,5-dimethyl-3-oxocyclohexen-1-yl)amino]benzoic acid, 4-((2-bromo-5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)benzoic acid, 4-[(2-bromo-5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]benzoic acid
Technical Specifications
| Molecular Formula | C15H16BrNO3 |
| Molecular Weight | 337.03137 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.03137 Da |
| Heavy Atoms | 20 |
| Complexity | 448.0 |
| SMILES | CC1(CC(=C(C(=O)C1)Br)NC2=CC=C(C=C2)C(=O)O)C |
| InChIKey | MOIXCBLIHAHEKS-UHFFFAOYSA-N |
Chemical Property Profile of 4-((2-Bromo-5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)benzoic acid
Property Insights of 4-((2-Bromo-5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)benzoic acid
The XLogP value of 3.4 indicates that 4-((2-Bromo-5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2-Bromo-5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)benzoic acid. Following Lipinski's Rule of Five, 4-((2-Bromo-5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)benzoic acid has 2 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 4-((2-Bromo-5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)benzoic acid?
The CAS number of 4-((2-Bromo-5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)benzoic acid is 159423-72-0.
What is the molecular formula of 4-((2-Bromo-5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)benzoic acid?
The molecular formula of 4-((2-Bromo-5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)benzoic acid is C15H16BrNO3.
What is the molecular weight of 4-((2-Bromo-5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)benzoic acid?
The molecular weight of 4-((2-Bromo-5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)benzoic acid is 337.03137 g/mol.
Where can I buy 4-((2-Bromo-5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)benzoic acid?
You can request a quote for 4-((2-Bromo-5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-((2-Bromo-5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-((2-Bromo-5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.