![2-((5-(4-Bromophenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-ethoxyphenyl)ethanone structure](/static/products/6184/618441-22-8.webp)
2-((5-(4-Bromophenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-ethoxyphenyl)ethanone
TL;DR: 2-((5-(4-Bromophenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-ethoxyphenyl)ethanone (CAS 618441-22-8) is a chemical compound with molecular formula C26H22BrN3O4S and molecular weight 551.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone
Also Known As: 2-((5-(4-Bromophenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-ethoxyphenyl)ethanone, 2-{[5-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-ethoxyphenyl)ethanone, 2-((5-(4-BROMOPHENYL)-4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-1-(4-ETHOXYPHENYL)ETHANONE, 2-[[5-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone, 644-813-4
| Molecular Formula | C26H22BrN3O4S |
|---|---|
| Molecular Weight | 551.05 g/mol |
| LogP | 5.8417 |
| Topological Polar Surface Area | 75.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 551.05145 |
| Heavy Atoms | 35 |
| Complexity | 1339.9716 |
Chemical Identifiers
| CAS Number | 618441-22-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC4=C(C=C3)OCCO4)C5=CC=C(C=C5)Br |
Product Overview
2-((5-(4-Bromophenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-ethoxyphenyl)ethanone (CAS 618441-22-8), with molecular formula C26H22BrN3O4S and molecular weight 551.05 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone.
Chemical Property Profile of 2-((5-(4-Bromophenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-ethoxyphenyl)ethanone
Property Insights of 2-((5-(4-Bromophenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-ethoxyphenyl)ethanone
The XLogP value of 5.8417 indicates that 2-((5-(4-Bromophenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-ethoxyphenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-(4-Bromophenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-ethoxyphenyl)ethanone. Following Lipinski's Rule of Five, 2-((5-(4-Bromophenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-ethoxyphenyl)ethanone has 0 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-((5-(4-Bromophenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-ethoxyphenyl)ethanone?
The CAS number of 2-((5-(4-Bromophenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-ethoxyphenyl)ethanone is 618441-22-8.
What is the molecular formula of 2-((5-(4-Bromophenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-ethoxyphenyl)ethanone?
The molecular formula of 2-((5-(4-Bromophenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-ethoxyphenyl)ethanone is C26H22BrN3O4S.
What is the molecular weight of 2-((5-(4-Bromophenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-ethoxyphenyl)ethanone?
The molecular weight of 2-((5-(4-Bromophenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-ethoxyphenyl)ethanone is 551.05 g/mol.
Where can I buy 2-((5-(4-Bromophenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-ethoxyphenyl)ethanone?
You can request a quote for 2-((5-(4-Bromophenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-ethoxyphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-(4-Bromophenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-ethoxyphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(4-Bromophenyl)-4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-ethoxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.