![2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide structure](/static/products/896/896829-05-3.png)
2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide
TL;DR: 2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide (CAS 896829-05-3) is a chemical compound with molecular formula C26H23ClN4O4S and molecular weight 522.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Also Known As: 2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide, 2-({4-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide, 2-[[4-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide, 2-{[4-(4-chlorophenyl)-5-(4-methylphenoxymethyl)-4H-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-(4-chlorophenyl)-5-[(4-methylphenox y)methyl](1,2,4-triazol-3-ylthio)}acetamide
| Molecular Formula | C26H23ClN4O4S |
|---|---|
| Molecular Weight | 522.11 g/mol |
| LogP | 5.31012 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 522.11285 |
| Heavy Atoms | 36 |
| Complexity | 1359.6293 |
Chemical Identifiers
| CAS Number | 896829-05-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)NC4=CC5=C(C=C4)OCCO5 |
Product Overview
2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide (CAS 896829-05-3), with molecular formula C26H23ClN4O4S and molecular weight 522.11 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
Chemical Property Profile of 2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide
Property Insights of 2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide
The XLogP value of 5.31012 indicates that 2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide. Following Lipinski's Rule of Five, 2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide?
The CAS number of 2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide is 896829-05-3.
What is the molecular formula of 2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide?
The molecular formula of 2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide is C26H23ClN4O4S.
What is the molecular weight of 2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide?
The molecular weight of 2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide is 522.11 g/mol.
Where can I buy 2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide?
You can request a quote for 2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-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-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(4-chlorophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.