5-Methyl-N-(3-(trifluoromethyl)phenyl)isoxazole-4-carboxamide
TL;DR: 5-Methyl-N-(3-(trifluoromethyl)phenyl)isoxazole-4-carboxamide (CAS 61643-23-0) is a chemical compound with molecular formula C12H9F3N2O2 and molecular weight 270.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
Also Known As: Leflunomide 3-Isomer, Leflunomide Impurity C, Leflunomide related compound C, Leflunomide EP Impurity C, Leflunomide Impurity 1
| Molecular Formula | C12H9F3N2O2 |
|---|---|
| Molecular Weight | 270.06 g/mol |
| LogP | 3.25412 |
| Topological Polar Surface Area | 55.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.0616 |
| Heavy Atoms | 19 |
| Complexity | 605.0171 |
Chemical Identifiers
| CAS Number | 61643-23-0 |
|---|---|
| SMILES | CC1=C(C=NO1)C(=O)NC2=CC=CC(=C2)C(F)(F)F |
Product Overview
5-Methyl-N-(3-(trifluoromethyl)phenyl)isoxazole-4-carboxamide (CAS 61643-23-0), with molecular formula C12H9F3N2O2 and molecular weight 270.06 g/mol. IUPAC: 5-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide.
Chemical Property Profile of 5-Methyl-N-(3-(trifluoromethyl)phenyl)isoxazole-4-carboxamide
Property Insights of 5-Methyl-N-(3-(trifluoromethyl)phenyl)isoxazole-4-carboxamide
The XLogP value of 3.25412 indicates that 5-Methyl-N-(3-(trifluoromethyl)phenyl)isoxazole-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.13 Ų, 5-Methyl-N-(3-(trifluoromethyl)phenyl)isoxazole-4-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-N-(3-(trifluoromethyl)phenyl)isoxazole-4-carboxamide has 1 hydrogen bond donor(s) and 3 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-N-(3-(trifluoromethyl)phenyl)isoxazole-4-carboxamide?
The CAS number of 5-Methyl-N-(3-(trifluoromethyl)phenyl)isoxazole-4-carboxamide is 61643-23-0.
What is the molecular formula of 5-Methyl-N-(3-(trifluoromethyl)phenyl)isoxazole-4-carboxamide?
The molecular formula of 5-Methyl-N-(3-(trifluoromethyl)phenyl)isoxazole-4-carboxamide is C12H9F3N2O2.
What is the molecular weight of 5-Methyl-N-(3-(trifluoromethyl)phenyl)isoxazole-4-carboxamide?
The molecular weight of 5-Methyl-N-(3-(trifluoromethyl)phenyl)isoxazole-4-carboxamide is 270.06 g/mol.
Where can I buy 5-Methyl-N-(3-(trifluoromethyl)phenyl)isoxazole-4-carboxamide?
You can request a quote for 5-Methyl-N-(3-(trifluoromethyl)phenyl)isoxazole-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-N-(3-(trifluoromethyl)phenyl)isoxazole-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-N-(3-(trifluoromethyl)phenyl)isoxazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.