2-(2,2-Dimethylpropanoylamino)-6-(trifluoromethyl)benzoic acid
TL;DR: 2-(2,2-Dimethylpropanoylamino)-6-(trifluoromethyl)benzoic acid (CAS 256508-75-5) is a chemical compound with molecular formula C13H14F3NO3 and molecular weight 289.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-dimethylpropanoylamino)-6-(trifluoromethyl)benzoic acid
Also Known As: Maybridge3_006359, 2-(2,2-dimethylpropanoylamino)-6-(trifluoromethyl)benzoic acid, IDI1_017746, 2-Pivalamido-6-(trifluoromethyl)benzoic acid, 2-pivaloylamino-6-trifluoromethylbenzoic acid
| Molecular Formula | C13H14F3NO3 |
|---|---|
| Molecular Weight | 289.09 g/mol |
| LogP | 3.3882 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.0926 |
| Heavy Atoms | 20 |
| Complexity | 544.7728 |
Chemical Identifiers
| CAS Number | 256508-75-5 |
|---|---|
| SMILES | CC(C)(C)C(=O)NC1=CC=CC(=C1C(=O)O)C(F)(F)F |
Product Overview
2-(2,2-Dimethylpropanoylamino)-6-(trifluoromethyl)benzoic acid (CAS 256508-75-5), with molecular formula C13H14F3NO3 and molecular weight 289.09 g/mol. IUPAC: 2-(2,2-dimethylpropanoylamino)-6-(trifluoromethyl)benzoic acid.
Chemical Property Profile of 2-(2,2-Dimethylpropanoylamino)-6-(trifluoromethyl)benzoic acid
Property Insights of 2-(2,2-Dimethylpropanoylamino)-6-(trifluoromethyl)benzoic acid
The XLogP value of 3.3882 indicates that 2-(2,2-Dimethylpropanoylamino)-6-(trifluoromethyl)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 2-(2,2-Dimethylpropanoylamino)-6-(trifluoromethyl)benzoic acid. Following Lipinski's Rule of Five, 2-(2,2-Dimethylpropanoylamino)-6-(trifluoromethyl)benzoic 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 2-(2,2-Dimethylpropanoylamino)-6-(trifluoromethyl)benzoic acid?
The CAS number of 2-(2,2-Dimethylpropanoylamino)-6-(trifluoromethyl)benzoic acid is 256508-75-5.
What is the molecular formula of 2-(2,2-Dimethylpropanoylamino)-6-(trifluoromethyl)benzoic acid?
The molecular formula of 2-(2,2-Dimethylpropanoylamino)-6-(trifluoromethyl)benzoic acid is C13H14F3NO3.
What is the molecular weight of 2-(2,2-Dimethylpropanoylamino)-6-(trifluoromethyl)benzoic acid?
The molecular weight of 2-(2,2-Dimethylpropanoylamino)-6-(trifluoromethyl)benzoic acid is 289.09 g/mol.
Where can I buy 2-(2,2-Dimethylpropanoylamino)-6-(trifluoromethyl)benzoic acid?
You can request a quote for 2-(2,2-Dimethylpropanoylamino)-6-(trifluoromethyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,2-Dimethylpropanoylamino)-6-(trifluoromethyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,2-Dimethylpropanoylamino)-6-(trifluoromethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.