![2-Methyl-6-[(2,2,2-trifluoroacetyl)amino]benzoic acid structure](/static/products/2198/219865-79-9.webp)
2-Methyl-6-[(2,2,2-trifluoroacetyl)amino]benzoic acid
TL;DR: 2-Methyl-6-[(2,2,2-trifluoroacetyl)amino]benzoic acid (CAS 219865-79-9) is a chemical compound with molecular formula C10H8F3NO3 and molecular weight 247.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-6-[(2,2,2-trifluoroacetyl)amino]benzoic acid
Also Known As: 5-phenylnicotinicacid, Maybridge1_001815, 2-methyl-6-[(2,2,2-trifluoroacetyl)amino]benzoic acid, 5-(2-Thienyl)-1H-pyrazole, 2-methyl-6-(trifluoroacetamido)benzoic acid
| Molecular Formula | C10H8F3NO3 |
|---|---|
| Molecular Weight | 247.05 g/mol |
| LogP | 2.19402 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.04562 |
| Heavy Atoms | 17 |
| Complexity | 468.3542 |
Chemical Identifiers
| CAS Number | 219865-79-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=O)C(F)(F)F)C(=O)O |
Product Overview
2-Methyl-6-[(2,2,2-trifluoroacetyl)amino]benzoic acid (CAS 219865-79-9), with molecular formula C10H8F3NO3 and molecular weight 247.05 g/mol. IUPAC: 2-methyl-6-[(2,2,2-trifluoroacetyl)amino]benzoic acid.
Chemical Property Profile of 2-Methyl-6-[(2,2,2-trifluoroacetyl)amino]benzoic acid
Property Insights of 2-Methyl-6-[(2,2,2-trifluoroacetyl)amino]benzoic acid
The XLogP value of 2.19402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-6-[(2,2,2-trifluoroacetyl)amino]benzoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-6-[(2,2,2-trifluoroacetyl)amino]benzoic acid. Following Lipinski's Rule of Five, 2-Methyl-6-[(2,2,2-trifluoroacetyl)amino]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-Methyl-6-[(2,2,2-trifluoroacetyl)amino]benzoic acid?
The CAS number of 2-Methyl-6-[(2,2,2-trifluoroacetyl)amino]benzoic acid is 219865-79-9.
What is the molecular formula of 2-Methyl-6-[(2,2,2-trifluoroacetyl)amino]benzoic acid?
The molecular formula of 2-Methyl-6-[(2,2,2-trifluoroacetyl)amino]benzoic acid is C10H8F3NO3.
What is the molecular weight of 2-Methyl-6-[(2,2,2-trifluoroacetyl)amino]benzoic acid?
The molecular weight of 2-Methyl-6-[(2,2,2-trifluoroacetyl)amino]benzoic acid is 247.05 g/mol.
Where can I buy 2-Methyl-6-[(2,2,2-trifluoroacetyl)amino]benzoic acid?
You can request a quote for 2-Methyl-6-[(2,2,2-trifluoroacetyl)amino]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-Methyl-6-[(2,2,2-trifluoroacetyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-6-[(2,2,2-trifluoroacetyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.