![2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-yl)acetamide structure](/static/products/896/896813-45-9.png)
2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-yl)acetamide
TL;DR: 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-yl)acetamide (CAS 896813-45-9) is a chemical compound with molecular formula C19H18N4O3S2 and molecular weight 414.08 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-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-yl)acetamide, N-(1,3-benzodioxol-5-yl)-2-[[4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(1,3-benzodioxol-5-yl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-[4-prop-2-enyl-5-(2-thienylmethyl)(1,2, 4-triazol-3-ylthio)]acetamide
| Molecular Formula | C19H18N4O3S2 |
|---|---|
| Molecular Weight | 414.08 g/mol |
| LogP | 3.5759 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.08203 |
| Heavy Atoms | 28 |
| Complexity | 985.2376 |
Chemical Identifiers
| CAS Number | 896813-45-9 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC3=C(C=C2)OCO3)CC4=CC=CS4 |
Product Overview
2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-yl)acetamide (CAS 896813-45-9), with molecular formula C19H18N4O3S2 and molecular weight 414.08 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[[4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-yl)acetamide
Property Insights of 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-yl)acetamide
The XLogP value of 3.5759 indicates that 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-yl)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 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-yl)acetamide. Following Lipinski's Rule of Five, 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-yl)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-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-yl)acetamide?
The CAS number of 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-yl)acetamide is 896813-45-9.
What is the molecular formula of 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-yl)acetamide?
The molecular formula of 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-yl)acetamide is C19H18N4O3S2.
What is the molecular weight of 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-yl)acetamide?
The molecular weight of 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-yl)acetamide is 414.08 g/mol.
Where can I buy 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-yl)acetamide?
You can request a quote for 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-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-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.