![N-(2H-1,3-benzodioxol-5-yl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/2569/256955-19-8.webp)
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-(2H-1,3-benzodioxol-5-yl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 256955-19-8) is a chemical compound with molecular formula C13H11F3N4O3S and molecular weight 360.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(2H-1,3-benzodioxol-5-yl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, AA-768/33244044, N-(1,3-benzodioxol-5-yl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(1,3-benzodioxol-5-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2H-benzo[d]1,3-dioxolan-5-yl)-2-[4-methyl-5-(trifluoromethyl)(1,2,4-triazol -3-ylthio)]acetamide
| Molecular Formula | C13H11F3N4O3S |
|---|---|
| Molecular Weight | 360.05 g/mol |
| LogP | 2.2934 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.05038 |
| Heavy Atoms | 24 |
| Complexity | 778.3078 |
Chemical Identifiers
| CAS Number | 256955-19-8 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)C(F)(F)F |
Product Overview
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 256955-19-8), with molecular formula C13H11F3N4O3S and molecular weight 360.05 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(2H-1,3-benzodioxol-5-yl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-(2H-1,3-benzodioxol-5-yl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 2.2934 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2H-1,3-benzodioxol-5-yl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2H-1,3-benzodioxol-5-yl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-(2H-1,3-benzodioxol-5-yl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide has 1 hydrogen bond donor(s) and 6 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-(2H-1,3-benzodioxol-5-yl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-(2H-1,3-benzodioxol-5-yl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 256955-19-8.
What is the molecular formula of N-(2H-1,3-benzodioxol-5-yl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-(2H-1,3-benzodioxol-5-yl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C13H11F3N4O3S.
What is the molecular weight of N-(2H-1,3-benzodioxol-5-yl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-(2H-1,3-benzodioxol-5-yl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 360.05 g/mol.
Where can I buy N-(2H-1,3-benzodioxol-5-yl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-2-{[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2H-1,3-benzodioxol-5-yl)-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.