N-(4-cyano-3-methyl-5-isoxazolyl)-2-(trifluoromethyl)benzenecarboxamide
TL;DR: N-(4-cyano-3-methyl-5-isoxazolyl)-2-(trifluoromethyl)benzenecarboxamide (CAS 861212-52-4) is a chemical compound with molecular formula C13H8F3N3O2 and molecular weight 295.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-cyano-3-methyl-1,2-oxazol-5-yl)-2-(trifluoromethyl)benzamide
Also Known As: N-(4-cyano-3-methyl-1,2-oxazol-5-yl)-2-(trifluoromethyl)benzamide, N-(4-cyano-3-methyl-5-isoxazolyl)-2-(trifluoromethyl)benzenecarboxamide, N-(4-cyano-3-methyl-isoxazol-5-yl)-2-(trifluoromethyl)benzamide
| Molecular Formula | C13H8F3N3O2 |
|---|---|
| Molecular Weight | 295.06 g/mol |
| LogP | 3.1258 |
| Topological Polar Surface Area | 78.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.05685 |
| Heavy Atoms | 21 |
| Complexity | 728.9932 |
Chemical Identifiers
| CAS Number | 861212-52-4 |
|---|---|
| SMILES | CC1=NOC(=C1C#N)NC(=O)C2=CC=CC=C2C(F)(F)F |
Product Overview
N-(4-cyano-3-methyl-5-isoxazolyl)-2-(trifluoromethyl)benzenecarboxamide (CAS 861212-52-4), with molecular formula C13H8F3N3O2 and molecular weight 295.06 g/mol. IUPAC: N-(4-cyano-3-methyl-1,2-oxazol-5-yl)-2-(trifluoromethyl)benzamide.
Chemical Property Profile of N-(4-cyano-3-methyl-5-isoxazolyl)-2-(trifluoromethyl)benzenecarboxamide
Property Insights of N-(4-cyano-3-methyl-5-isoxazolyl)-2-(trifluoromethyl)benzenecarboxamide
The XLogP value of 3.1258 indicates that N-(4-cyano-3-methyl-5-isoxazolyl)-2-(trifluoromethyl)benzenecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.92 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-cyano-3-methyl-5-isoxazolyl)-2-(trifluoromethyl)benzenecarboxamide. Following Lipinski's Rule of Five, N-(4-cyano-3-methyl-5-isoxazolyl)-2-(trifluoromethyl)benzenecarboxamide 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 N-(4-cyano-3-methyl-5-isoxazolyl)-2-(trifluoromethyl)benzenecarboxamide?
The CAS number of N-(4-cyano-3-methyl-5-isoxazolyl)-2-(trifluoromethyl)benzenecarboxamide is 861212-52-4.
What is the molecular formula of N-(4-cyano-3-methyl-5-isoxazolyl)-2-(trifluoromethyl)benzenecarboxamide?
The molecular formula of N-(4-cyano-3-methyl-5-isoxazolyl)-2-(trifluoromethyl)benzenecarboxamide is C13H8F3N3O2.
What is the molecular weight of N-(4-cyano-3-methyl-5-isoxazolyl)-2-(trifluoromethyl)benzenecarboxamide?
The molecular weight of N-(4-cyano-3-methyl-5-isoxazolyl)-2-(trifluoromethyl)benzenecarboxamide is 295.06 g/mol.
Where can I buy N-(4-cyano-3-methyl-5-isoxazolyl)-2-(trifluoromethyl)benzenecarboxamide?
You can request a quote for N-(4-cyano-3-methyl-5-isoxazolyl)-2-(trifluoromethyl)benzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-cyano-3-methyl-5-isoxazolyl)-2-(trifluoromethyl)benzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-cyano-3-methyl-5-isoxazolyl)-2-(trifluoromethyl)benzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.