3-Carboxy-5-methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide
TL;DR: 3-Carboxy-5-methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide (CAS 134888-93-0) is a chemical compound with molecular formula C13H9F3N2O4 and molecular weight 314.05145 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-4-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,2-oxazole-3-carboxylic acid
Also Known As: CMTPI, 3-Carboxy-5-methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide, 3-carboxy-5-methyl-n-(4-4-isoxazolecarboxamide, 5-methyl-4-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,2-oxazole-3-carboxylic acid, 3-carboxy-5-methyl-N-(4- -4-isoxazolecarboxamide
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H9F3N2O4 |
| Molecular Weight | 314.05145 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 92.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.05145 Da |
| Heavy Atoms | 22 |
| Complexity | 435.0 |
| SMILES | CC1=C(C(=NO1)C(=O)O)C(=O)NC2=CC=C(C=C2)C(F)(F)F |
| InChIKey | QREXMXPNUAJXOG-UHFFFAOYSA-N |
Chemical Property Profile of 3-Carboxy-5-methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide
Property Insights of 3-Carboxy-5-methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Carboxy-5-methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Carboxy-5-methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide. Following Lipinski's Rule of Five, 3-Carboxy-5-methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Carboxy-5-methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide?
The CAS number of 3-Carboxy-5-methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide is 134888-93-0.
What is the molecular formula of 3-Carboxy-5-methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide?
The molecular formula of 3-Carboxy-5-methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide is C13H9F3N2O4.
What is the molecular weight of 3-Carboxy-5-methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide?
The molecular weight of 3-Carboxy-5-methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide is 314.05145 g/mol.
Where can I buy 3-Carboxy-5-methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide?
You can request a quote for 3-Carboxy-5-methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Carboxy-5-methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide?
Yes, CoreyChem provides custom synthesis services for 3-Carboxy-5-methyl-N-(4-(trifluoromethyl)phenyl)-4-isoxazolecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.