![2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide structure](/static/products/5779/577962-64-2.webp)
2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
TL;DR: 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CAS 577962-64-2) is a chemical compound with molecular formula C17H16N6O3S and molecular weight 384.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Also Known As: 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide, 2-((4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide, 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide, N-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)-2-(4-amino-5-(3-pyridyl)(1,2,4-triazol-3 -ylthio))acetamide
| Molecular Formula | C17H16N6O3S |
|---|---|
| Molecular Weight | 384.10 g/mol |
| LogP | 1.5559 |
| Topological Polar Surface Area | 117.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.10046 |
| Heavy Atoms | 27 |
| Complexity | 962.5575 |
Chemical Identifiers
| CAS Number | 577962-64-2 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)NC(=O)CSC3=NN=C(N3N)C4=CN=CC=C4 |
Product Overview
2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CAS 577962-64-2), with molecular formula C17H16N6O3S and molecular weight 384.10 g/mol. IUPAC: 2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
Chemical Property Profile of 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Property Insights of 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
The XLogP value of 1.5559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide. The TPSA of 117.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide. Following Lipinski's Rule of Five, 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has 2 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 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The CAS number of 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is 577962-64-2.
What is the molecular formula of 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The molecular formula of 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is C17H16N6O3S.
What is the molecular weight of 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The molecular weight of 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is 384.10 g/mol.
Where can I buy 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
You can request a quote for 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-amino-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.