5-Methyl-4-((3-(trifluoromethyl)phenoxy)methyl)isoxazole-3-carboxylic acid
TL;DR: 5-Methyl-4-((3-(trifluoromethyl)phenoxy)methyl)isoxazole-3-carboxylic acid (CAS 1006319-91-0) is a chemical compound with molecular formula C13H10F3NO4 and molecular weight 301.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid
Also Known As: 5-Methyl-4-((3-(trifluoromethyl)phenoxy)methyl)isoxazole-3-carboxylic acid, 5-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic Acid, 5-Methyl-4-(3-trifluoromethyl-phenoxymethyl)-isoxazole-3-carboxylic acid, 5-Methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]isoxazole-3-carboxylic acid, 5-methyl-4-{[3-(trifluoromethyl)phenoxy]methyl}isoxazole-3-carboxylic acid
| Molecular Formula | C13H10F3NO4 |
|---|---|
| Molecular Weight | 301.06 g/mol |
| LogP | 3.27902 |
| Topological Polar Surface Area | 72.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.05618 |
| Heavy Atoms | 21 |
| Complexity | 663.6763 |
Chemical Identifiers
| CAS Number | 1006319-91-0 |
|---|---|
| SMILES | CC1=C(C(=NO1)C(=O)O)COC2=CC=CC(=C2)C(F)(F)F |
Product Overview
5-Methyl-4-((3-(trifluoromethyl)phenoxy)methyl)isoxazole-3-carboxylic acid (CAS 1006319-91-0), with molecular formula C13H10F3NO4 and molecular weight 301.06 g/mol. IUPAC: 5-methyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid.
Chemical Property Profile of 5-Methyl-4-((3-(trifluoromethyl)phenoxy)methyl)isoxazole-3-carboxylic acid
Property Insights of 5-Methyl-4-((3-(trifluoromethyl)phenoxy)methyl)isoxazole-3-carboxylic acid
The XLogP value of 3.27902 indicates that 5-Methyl-4-((3-(trifluoromethyl)phenoxy)methyl)isoxazole-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-4-((3-(trifluoromethyl)phenoxy)methyl)isoxazole-3-carboxylic acid. Following Lipinski's Rule of Five, 5-Methyl-4-((3-(trifluoromethyl)phenoxy)methyl)isoxazole-3-carboxylic acid has 1 hydrogen bond donor(s) and 4 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 5-Methyl-4-((3-(trifluoromethyl)phenoxy)methyl)isoxazole-3-carboxylic acid?
The CAS number of 5-Methyl-4-((3-(trifluoromethyl)phenoxy)methyl)isoxazole-3-carboxylic acid is 1006319-91-0.
What is the molecular formula of 5-Methyl-4-((3-(trifluoromethyl)phenoxy)methyl)isoxazole-3-carboxylic acid?
The molecular formula of 5-Methyl-4-((3-(trifluoromethyl)phenoxy)methyl)isoxazole-3-carboxylic acid is C13H10F3NO4.
What is the molecular weight of 5-Methyl-4-((3-(trifluoromethyl)phenoxy)methyl)isoxazole-3-carboxylic acid?
The molecular weight of 5-Methyl-4-((3-(trifluoromethyl)phenoxy)methyl)isoxazole-3-carboxylic acid is 301.06 g/mol.
Where can I buy 5-Methyl-4-((3-(trifluoromethyl)phenoxy)methyl)isoxazole-3-carboxylic acid?
You can request a quote for 5-Methyl-4-((3-(trifluoromethyl)phenoxy)methyl)isoxazole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-4-((3-(trifluoromethyl)phenoxy)methyl)isoxazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-4-((3-(trifluoromethyl)phenoxy)methyl)isoxazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.