![N-Benzo[1,3]dioxol-5-yl-2-(4-furan-2-ylmethyl-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide structure](/static/products/5869/586988-65-0.webp)
N-Benzo[1,3]dioxol-5-yl-2-(4-furan-2-ylmethyl-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
TL;DR: N-Benzo[1,3]dioxol-5-yl-2-(4-furan-2-ylmethyl-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide (CAS 586988-65-0) is a chemical compound with molecular formula C21H17N5O4S and molecular weight 435.10 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-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-Benzo[1,3]dioxol-5-yl-2-(4-furan-2-ylmethyl-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide, N-(1,3-benzodioxol-5-yl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(1,3-benzodioxol-5-yl)-2-{[4-(furan-2-ylmethyl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(furan-2-ylmethyl)-5-(pyridin-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-pyridyl)(1,2,4- triazol-3-ylthio)]acetamide
| Molecular Formula | C21H17N5O4S |
|---|---|
| Molecular Weight | 435.10 g/mol |
| LogP | 3.4409 |
| Topological Polar Surface Area | 104.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 435.10013 |
| Heavy Atoms | 31 |
| Complexity | 1193.9727 |
Chemical Identifiers
| CAS Number | 586988-65-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(N3CC4=CC=CO4)C5=CC=CC=N5 |
Product Overview
N-Benzo[1,3]dioxol-5-yl-2-(4-furan-2-ylmethyl-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide (CAS 586988-65-0), with molecular formula C21H17N5O4S and molecular weight 435.10 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-Benzo[1,3]dioxol-5-yl-2-(4-furan-2-ylmethyl-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
Property Insights of N-Benzo[1,3]dioxol-5-yl-2-(4-furan-2-ylmethyl-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
The XLogP value of 3.4409 indicates that N-Benzo[1,3]dioxol-5-yl-2-(4-furan-2-ylmethyl-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Benzo[1,3]dioxol-5-yl-2-(4-furan-2-ylmethyl-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide. Following Lipinski's Rule of Five, N-Benzo[1,3]dioxol-5-yl-2-(4-furan-2-ylmethyl-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-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-Benzo[1,3]dioxol-5-yl-2-(4-furan-2-ylmethyl-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide?
The CAS number of N-Benzo[1,3]dioxol-5-yl-2-(4-furan-2-ylmethyl-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide is 586988-65-0.
What is the molecular formula of N-Benzo[1,3]dioxol-5-yl-2-(4-furan-2-ylmethyl-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide?
The molecular formula of N-Benzo[1,3]dioxol-5-yl-2-(4-furan-2-ylmethyl-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide is C21H17N5O4S.
What is the molecular weight of N-Benzo[1,3]dioxol-5-yl-2-(4-furan-2-ylmethyl-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide?
The molecular weight of N-Benzo[1,3]dioxol-5-yl-2-(4-furan-2-ylmethyl-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide is 435.10 g/mol.
Where can I buy N-Benzo[1,3]dioxol-5-yl-2-(4-furan-2-ylmethyl-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide?
You can request a quote for N-Benzo[1,3]dioxol-5-yl-2-(4-furan-2-ylmethyl-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzo[1,3]dioxol-5-yl-2-(4-furan-2-ylmethyl-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-Benzo[1,3]dioxol-5-yl-2-(4-furan-2-ylmethyl-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.