![N-1,3-benzodioxol-5-yl-2-{[4-(2-furylmethyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetamide structure](/static/products/5869/586992-25-8.webp)
N-1,3-benzodioxol-5-yl-2-{[4-(2-furylmethyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
TL;DR: N-1,3-benzodioxol-5-yl-2-{[4-(2-furylmethyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetamide (CAS 586992-25-8) is a chemical compound with molecular formula C20H16N4O4S2 and molecular weight 440.06 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-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-1,3-benzodioxol-5-yl-2-{[4-(2-furylmethyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetamide, N-(1,3-benzodioxol-5-yl)-2-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(1,3-benzodioxol-5-yl)-2-{[4-(furan-2-ylmethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(furan-2-ylmethyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-[4-(2-furylmethyl)-5-(2-thienyl)(1,2,4- triazol-3-ylthio)]acetamide
| Molecular Formula | C20H16N4O4S2 |
|---|---|
| Molecular Weight | 440.06 g/mol |
| LogP | 4.1074 |
| Topological Polar Surface Area | 91.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.0613 |
| Heavy Atoms | 30 |
| Complexity | 1155.9208 |
Chemical Identifiers
| CAS Number | 586992-25-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(N3CC4=CC=CO4)C5=CC=CS5 |
Product Overview
N-1,3-benzodioxol-5-yl-2-{[4-(2-furylmethyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetamide (CAS 586992-25-8), with molecular formula C20H16N4O4S2 and molecular weight 440.06 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[[4-(furan-2-ylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-1,3-benzodioxol-5-yl-2-{[4-(2-furylmethyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
Property Insights of N-1,3-benzodioxol-5-yl-2-{[4-(2-furylmethyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
The XLogP value of 4.1074 indicates that N-1,3-benzodioxol-5-yl-2-{[4-(2-furylmethyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.41 Ų falls within the moderate polarity range, balancing permeability and solubility for N-1,3-benzodioxol-5-yl-2-{[4-(2-furylmethyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetamide. Following Lipinski's Rule of Five, N-1,3-benzodioxol-5-yl-2-{[4-(2-furylmethyl)-5-(2-thienyl)-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-(2-furylmethyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetamide?
The CAS number of N-1,3-benzodioxol-5-yl-2-{[4-(2-furylmethyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetamide is 586992-25-8.
What is the molecular formula of N-1,3-benzodioxol-5-yl-2-{[4-(2-furylmethyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetamide?
The molecular formula of N-1,3-benzodioxol-5-yl-2-{[4-(2-furylmethyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetamide is C20H16N4O4S2.
What is the molecular weight of N-1,3-benzodioxol-5-yl-2-{[4-(2-furylmethyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetamide?
The molecular weight of N-1,3-benzodioxol-5-yl-2-{[4-(2-furylmethyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetamide is 440.06 g/mol.
Where can I buy N-1,3-benzodioxol-5-yl-2-{[4-(2-furylmethyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetamide?
You can request a quote for N-1,3-benzodioxol-5-yl-2-{[4-(2-furylmethyl)-5-(2-thienyl)-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-(2-furylmethyl)-5-(2-thienyl)-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-(2-furylmethyl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.