![2-{[5-(1,3-Benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-thienylmethyl)acetamide structure](/static/products/6061/606136-68-9.webp)
2-{[5-(1,3-Benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-thienylmethyl)acetamide
TL;DR: 2-{[5-(1,3-Benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-thienylmethyl)acetamide (CAS 606136-68-9) is a chemical compound with molecular formula C17H16N4O3S2 and molecular weight 388.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
Also Known As: 2-{[5-(1,3-Benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-thienylmethyl)acetamide, Acetamide,2-[[5- -4-methyl-4H-1,2,4-triazol-3-yl]thio]-N- -, 2-[(5-benzo[1,3]dioxol-5-yl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide, 2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide, 2-{[5-(1,3-Benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfa nyl}-N-(2-thienylmethyl)acetamide
| Molecular Formula | C17H16N4O3S2 |
|---|---|
| Molecular Weight | 388.07 g/mol |
| LogP | 2.6808 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.06638 |
| Heavy Atoms | 26 |
| Complexity | 924.24335 |
Chemical Identifiers
| CAS Number | 606136-68-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NCC2=CC=CS2)C3=CC4=C(C=C3)OCO4 |
Product Overview
2-{[5-(1,3-Benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-thienylmethyl)acetamide (CAS 606136-68-9), with molecular formula C17H16N4O3S2 and molecular weight 388.07 g/mol. IUPAC: 2-[[5-(1,3-benzodioxol-5-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.
Chemical Property Profile of 2-{[5-(1,3-Benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-thienylmethyl)acetamide
Property Insights of 2-{[5-(1,3-Benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-thienylmethyl)acetamide
The XLogP value of 2.6808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[5-(1,3-Benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-thienylmethyl)acetamide. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-(1,3-Benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-thienylmethyl)acetamide. Following Lipinski's Rule of Five, 2-{[5-(1,3-Benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-thienylmethyl)acetamide has 1 hydrogen bond donor(s) and 7 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 2-{[5-(1,3-Benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-thienylmethyl)acetamide?
The CAS number of 2-{[5-(1,3-Benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-thienylmethyl)acetamide is 606136-68-9.
What is the molecular formula of 2-{[5-(1,3-Benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-thienylmethyl)acetamide?
The molecular formula of 2-{[5-(1,3-Benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-thienylmethyl)acetamide is C17H16N4O3S2.
What is the molecular weight of 2-{[5-(1,3-Benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-thienylmethyl)acetamide?
The molecular weight of 2-{[5-(1,3-Benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-thienylmethyl)acetamide is 388.07 g/mol.
Where can I buy 2-{[5-(1,3-Benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-thienylmethyl)acetamide?
You can request a quote for 2-{[5-(1,3-Benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-thienylmethyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[5-(1,3-Benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-thienylmethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(1,3-Benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-thienylmethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.