![N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/808/808183-41-7.png)
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 808183-41-7) is a chemical compound with molecular formula C21H20N4O3S and molecular weight 408.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(2H,3H-benzo[3,4-e]1,4-dioxin-6-yl)-2-(5-phenyl-4-prop-2-enyl(1,2,4-triazol- 3-ylthio))acetamide
| Molecular Formula | C21H20N4O3S |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 3.6331 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 408.1256 |
| Heavy Atoms | 29 |
| Complexity | 1020.0206 |
Chemical Identifiers
| CAS Number | 808183-41-7 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCCO3)C4=CC=CC=C4 |
Product Overview
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 808183-41-7), with molecular formula C21H20N4O3S and molecular weight 408.13 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 3.6331 indicates that N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 808183-41-7.
What is the molecular formula of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C21H20N4O3S.
What is the molecular weight of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 408.13 g/mol.
Where can I buy N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.