![N-1,3-benzodioxol-5-yl-2-{[4-methyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]thio}acetamide structure](/static/products/5736/573694-62-9.webp)
N-1,3-benzodioxol-5-yl-2-{[4-methyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
TL;DR: N-1,3-benzodioxol-5-yl-2-{[4-methyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]thio}acetamide (CAS 573694-62-9) is a chemical compound with molecular formula C16H14N6O3S and molecular weight 370.08 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-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-1,3-benzodioxol-5-yl-2-{[4-methyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]thio}acetamide, N-(1,3-benzodioxol-5-yl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(1,3-benzodioxol-5-yl)-2-{[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2H-1,3-benzodioxol-5-yl)-2-{[4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(benzo[d][1,3]dioxol-5-yl)-2-((4-methyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C16H14N6O3S |
|---|---|
| Molecular Weight | 370.08 g/mol |
| LogP | 1.7316 |
| Topological Polar Surface Area | 104.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.0848 |
| Heavy Atoms | 26 |
| Complexity | 946.4131 |
Chemical Identifiers
| CAS Number | 573694-62-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)C4=NC=CN=C4 |
Product Overview
N-1,3-benzodioxol-5-yl-2-{[4-methyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]thio}acetamide (CAS 573694-62-9), with molecular formula C16H14N6O3S and molecular weight 370.08 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[(4-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of N-1,3-benzodioxol-5-yl-2-{[4-methyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
Property Insights of N-1,3-benzodioxol-5-yl-2-{[4-methyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
The XLogP value of 1.7316 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-1,3-benzodioxol-5-yl-2-{[4-methyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]thio}acetamide. The TPSA of 104.05 Ų falls within the moderate polarity range, balancing permeability and solubility for N-1,3-benzodioxol-5-yl-2-{[4-methyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]thio}acetamide. Following Lipinski's Rule of Five, N-1,3-benzodioxol-5-yl-2-{[4-methyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]thio}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-1,3-benzodioxol-5-yl-2-{[4-methyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]thio}acetamide?
The CAS number of N-1,3-benzodioxol-5-yl-2-{[4-methyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]thio}acetamide is 573694-62-9.
What is the molecular formula of N-1,3-benzodioxol-5-yl-2-{[4-methyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]thio}acetamide?
The molecular formula of N-1,3-benzodioxol-5-yl-2-{[4-methyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]thio}acetamide is C16H14N6O3S.
What is the molecular weight of N-1,3-benzodioxol-5-yl-2-{[4-methyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]thio}acetamide?
The molecular weight of N-1,3-benzodioxol-5-yl-2-{[4-methyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]thio}acetamide is 370.08 g/mol.
Where can I buy N-1,3-benzodioxol-5-yl-2-{[4-methyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]thio}acetamide?
You can request a quote for N-1,3-benzodioxol-5-yl-2-{[4-methyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]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-1,3-benzodioxol-5-yl-2-{[4-methyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]thio}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-1,3-benzodioxol-5-yl-2-{[4-methyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-yl]thio}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.