![N-(5-Methyl-3-isoxazolyl)-2-[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide structure](/static/products/3614/361464-88-2.webp)
N-(5-Methyl-3-isoxazolyl)-2-[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide
TL;DR: N-(5-Methyl-3-isoxazolyl)-2-[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide (CAS 361464-88-2) is a chemical compound with molecular formula C12H11F3N4O2S and molecular weight 332.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
Also Known As: N-(5-Methyl-3-isoxazolyl)-2-[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide, A2469/0104846, Acetamide, 2-(4-trifluoromethyl-6-methyl-2-pyrimidylthio)-N-(5-methyl-3-isoxazolyl)-, N-(5-methyl-1,2-oxazol-3-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide, N-(5-methyl-1,2-oxazol-3-yl)-2-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
| Molecular Formula | C12H11F3N4O2S |
|---|---|
| Molecular Weight | 332.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.05548 |
| Heavy Atoms | 22 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 361464-88-2 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SCC(=O)NC2=NOC(=C2)C)C(F)(F)F |
| InChIKey | MHJXWXVJOUVQLA-UHFFFAOYSA-N |
Product Overview
N-(5-Methyl-3-isoxazolyl)-2-[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide (CAS 361464-88-2), with molecular formula C12H11F3N4O2S and molecular weight 332.06 g/mol. IUPAC: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide.
Chemical Property Profile of N-(5-Methyl-3-isoxazolyl)-2-[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide
Property Insights of N-(5-Methyl-3-isoxazolyl)-2-[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-Methyl-3-isoxazolyl)-2-[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-Methyl-3-isoxazolyl)-2-[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide. Following Lipinski's Rule of Five, N-(5-Methyl-3-isoxazolyl)-2-[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide has 1 hydrogen bond donor(s) and 9 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-(5-Methyl-3-isoxazolyl)-2-[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide?
The CAS number of N-(5-Methyl-3-isoxazolyl)-2-[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide is 361464-88-2.
What is the molecular formula of N-(5-Methyl-3-isoxazolyl)-2-[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide?
The molecular formula of N-(5-Methyl-3-isoxazolyl)-2-[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide is C12H11F3N4O2S.
What is the molecular weight of N-(5-Methyl-3-isoxazolyl)-2-[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide?
The molecular weight of N-(5-Methyl-3-isoxazolyl)-2-[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide is 332.06 g/mol.
Where can I buy N-(5-Methyl-3-isoxazolyl)-2-[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide?
You can request a quote for N-(5-Methyl-3-isoxazolyl)-2-[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-Methyl-3-isoxazolyl)-2-[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-Methyl-3-isoxazolyl)-2-[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.