![4-[(5,5-Dimethyl-3-oxocyclohex-1-en-1-yl)amino]benzoic acid structure](/static/products/1594/159423-67-3.webp)
4-[(5,5-Dimethyl-3-oxocyclohex-1-en-1-yl)amino]benzoic acid
TL;DR: 4-[(5,5-Dimethyl-3-oxocyclohex-1-en-1-yl)amino]benzoic acid (CAS 159423-67-3) is a chemical compound with molecular formula C15H17NO3 and molecular weight 259.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]benzoic acid
Also Known As: 4-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]benzoic acid, 4-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]benzoic acid, AB00080341-01, AE-848/34173050, 4-((5,5-DIMETHYL-3-OXOCYCLOHEX-1-ENYL)AMINO)BENZOIC ACID
Technical Specifications
| Molecular Formula | C15H17NO3 |
| Molecular Weight | 259.12085 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.12085 Da |
| Heavy Atoms | 19 |
| Complexity | 404.0 |
| SMILES | CC1(CC(=CC(=O)C1)NC2=CC=C(C=C2)C(=O)O)C |
| InChIKey | WNJHINAPRRROPW-UHFFFAOYSA-N |
Chemical Property Profile of 4-[(5,5-Dimethyl-3-oxocyclohex-1-en-1-yl)amino]benzoic acid
Property Insights of 4-[(5,5-Dimethyl-3-oxocyclohex-1-en-1-yl)amino]benzoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(5,5-Dimethyl-3-oxocyclohex-1-en-1-yl)amino]benzoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(5,5-Dimethyl-3-oxocyclohex-1-en-1-yl)amino]benzoic acid. Following Lipinski's Rule of Five, 4-[(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-[(5,5-Dimethyl-3-oxocyclohex-1-en-1-yl)amino]benzoic acid?
The CAS number of 4-[(5,5-Dimethyl-3-oxocyclohex-1-en-1-yl)amino]benzoic acid is 159423-67-3.
What is the molecular formula of 4-[(5,5-Dimethyl-3-oxocyclohex-1-en-1-yl)amino]benzoic acid?
The molecular formula of 4-[(5,5-Dimethyl-3-oxocyclohex-1-en-1-yl)amino]benzoic acid is C15H17NO3.
What is the molecular weight of 4-[(5,5-Dimethyl-3-oxocyclohex-1-en-1-yl)amino]benzoic acid?
The molecular weight of 4-[(5,5-Dimethyl-3-oxocyclohex-1-en-1-yl)amino]benzoic acid is 259.12085 g/mol.
Where can I buy 4-[(5,5-Dimethyl-3-oxocyclohex-1-en-1-yl)amino]benzoic acid?
You can request a quote for 4-[(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-[(5,5-Dimethyl-3-oxocyclohex-1-en-1-yl)amino]benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-[(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.