![3,3,5-trimethyl-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}cyclohexanecarboxylic acid structure](/static/products/4390/439096-52-3.webp)
3,3,5-trimethyl-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}cyclohexanecarboxylic acid
TL;DR: 3,3,5-trimethyl-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}cyclohexanecarboxylic acid (CAS 439096-52-3) is a chemical compound with molecular formula C19H24F3NO3 and molecular weight 371.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,5-trimethyl-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]cyclohexane-1-carboxylic acid
Also Known As: 3,3,5-trimethyl-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}cyclohexanecarboxylic acid, 3,3,5-trimethyl-1-({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)cyclohexane-1-carboxylic acid, 3,3,5-trimethyl-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]cyclohexane-1-carboxylic acid, 3,3,5-trimethyl-1-[[3-(trifluoromethyl)phenyl]carbamoylmethyl]cyclohexane-1-carboxylic Acid, 3,3,5-trimethyl-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]cyclohexanecarboxylic acid
| Molecular Formula | C19H24F3NO3 |
|---|---|
| Molecular Weight | 371.17 g/mol |
| LogP | 4.9512 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.17084 |
| Heavy Atoms | 26 |
| Complexity | 699.5149 |
Chemical Identifiers
| CAS Number | 439096-52-3 |
|---|---|
| SMILES | CC1CC(CC(C1)(CC(=O)NC2=CC=CC(=C2)C(F)(F)F)C(=O)O)(C)C |
Product Overview
3,3,5-trimethyl-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}cyclohexanecarboxylic acid (CAS 439096-52-3), with molecular formula C19H24F3NO3 and molecular weight 371.17 g/mol. IUPAC: 3,3,5-trimethyl-1-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]cyclohexane-1-carboxylic acid.
Chemical Property Profile of 3,3,5-trimethyl-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}cyclohexanecarboxylic acid
Property Insights of 3,3,5-trimethyl-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}cyclohexanecarboxylic acid
The XLogP value of 4.9512 indicates that 3,3,5-trimethyl-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}cyclohexanecarboxylic 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 3,3,5-trimethyl-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}cyclohexanecarboxylic acid. Following Lipinski's Rule of Five, 3,3,5-trimethyl-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}cyclohexanecarboxylic acid has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3,5-trimethyl-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}cyclohexanecarboxylic acid?
The CAS number of 3,3,5-trimethyl-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}cyclohexanecarboxylic acid is 439096-52-3.
What is the molecular formula of 3,3,5-trimethyl-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}cyclohexanecarboxylic acid?
The molecular formula of 3,3,5-trimethyl-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}cyclohexanecarboxylic acid is C19H24F3NO3.
What is the molecular weight of 3,3,5-trimethyl-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}cyclohexanecarboxylic acid?
The molecular weight of 3,3,5-trimethyl-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}cyclohexanecarboxylic acid is 371.17 g/mol.
Where can I buy 3,3,5-trimethyl-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}cyclohexanecarboxylic acid?
You can request a quote for 3,3,5-trimethyl-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}cyclohexanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,5-trimethyl-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}cyclohexanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,3,5-trimethyl-1-{2-oxo-2-[3-(trifluoromethyl)anilino]ethyl}cyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.