![N-(5-fluoro-2-methylphenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/3030/303091-07-8.webp)
N-(5-fluoro-2-methylphenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-(5-fluoro-2-methylphenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 303091-07-8) is a chemical compound with molecular formula C13H12F4N4OS and molecular weight 348.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-fluoro-2-methylphenyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(5-fluoro-2-methylphenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, AA-768/14251021, N-(5-fluoro-2-methylphenyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(5-fluoro-2-methylphenyl)-2-[4-methyl-5-(trifluoromethyl)(1,2,4-triazol-3-yl thio)]acetamide
| Molecular Formula | C13H12F4N4OS |
|---|---|
| Molecular Weight | 348.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 85.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.0668 |
| Heavy Atoms | 23 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 303091-07-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)F)NC(=O)CSC2=NN=C(N2C)C(F)(F)F |
| InChIKey | DOHVPBYQGHKXRG-UHFFFAOYSA-N |
Product Overview
N-(5-fluoro-2-methylphenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 303091-07-8), with molecular formula C13H12F4N4OS and molecular weight 348.07 g/mol. IUPAC: N-(5-fluoro-2-methylphenyl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(5-fluoro-2-methylphenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-(5-fluoro-2-methylphenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(5-fluoro-2-methylphenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. The TPSA of 85.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-fluoro-2-methylphenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-(5-fluoro-2-methylphenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide has 1 hydrogen bond donor(s) and 8 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-fluoro-2-methylphenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-(5-fluoro-2-methylphenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 303091-07-8.
What is the molecular formula of N-(5-fluoro-2-methylphenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-(5-fluoro-2-methylphenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C13H12F4N4OS.
What is the molecular weight of N-(5-fluoro-2-methylphenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-(5-fluoro-2-methylphenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 348.07 g/mol.
Where can I buy N-(5-fluoro-2-methylphenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-(5-fluoro-2-methylphenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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-fluoro-2-methylphenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-fluoro-2-methylphenyl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.