![1-(4-chlorophenyl)-2-{5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)(1,2,4-tr iazol-3-ylthio)}ethan-1-one structure](/static/products/862/862128-10-7.png)
1-(4-chlorophenyl)-2-{5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)(1,2,4-tr iazol-3-ylthio)}ethan-1-one
TL;DR: 1-(4-chlorophenyl)-2-{5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)(1,2,4-tr iazol-3-ylthio)}ethan-1-one (CAS 862128-10-7) is a chemical compound with molecular formula C24H19Cl2N3O3S and molecular weight 499.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone
Also Known As: 1-(4-chlorophenyl)-2-{5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)(1,2,4-tr iazol-3-ylthio)}ethan-1-one, 2-((5-((4-chlorophenoxy)methyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone, 2-({5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-chlorophenyl)ethanone, 2-[[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone, 2-{[5-(4-chlorophenoxymethyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-chlorophenyl)ethan-1-one
| Molecular Formula | C24H19Cl2N3O3S |
|---|---|
| Molecular Weight | 499.05 g/mol |
| LogP | 6.1367 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 499.05243 |
| Heavy Atoms | 33 |
| Complexity | 1227.5615 |
Chemical Identifiers
| CAS Number | 862128-10-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Cl)COC4=CC=C(C=C4)Cl |
Product Overview
1-(4-chlorophenyl)-2-{5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)(1,2,4-tr iazol-3-ylthio)}ethan-1-one (CAS 862128-10-7), with molecular formula C24H19Cl2N3O3S and molecular weight 499.05 g/mol. IUPAC: 2-[[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone.
Chemical Property Profile of 1-(4-chlorophenyl)-2-{5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)(1,2,4-tr iazol-3-ylthio)}ethan-1-one
Property Insights of 1-(4-chlorophenyl)-2-{5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)(1,2,4-tr iazol-3-ylthio)}ethan-1-one
The XLogP value of 6.1367 indicates that 1-(4-chlorophenyl)-2-{5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)(1,2,4-tr iazol-3-ylthio)}ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorophenyl)-2-{5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)(1,2,4-tr iazol-3-ylthio)}ethan-1-one. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-2-{5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)(1,2,4-tr iazol-3-ylthio)}ethan-1-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-chlorophenyl)-2-{5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)(1,2,4-tr iazol-3-ylthio)}ethan-1-one?
The CAS number of 1-(4-chlorophenyl)-2-{5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)(1,2,4-tr iazol-3-ylthio)}ethan-1-one is 862128-10-7.
What is the molecular formula of 1-(4-chlorophenyl)-2-{5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)(1,2,4-tr iazol-3-ylthio)}ethan-1-one?
The molecular formula of 1-(4-chlorophenyl)-2-{5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)(1,2,4-tr iazol-3-ylthio)}ethan-1-one is C24H19Cl2N3O3S.
What is the molecular weight of 1-(4-chlorophenyl)-2-{5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)(1,2,4-tr iazol-3-ylthio)}ethan-1-one?
The molecular weight of 1-(4-chlorophenyl)-2-{5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)(1,2,4-tr iazol-3-ylthio)}ethan-1-one is 499.05 g/mol.
Where can I buy 1-(4-chlorophenyl)-2-{5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)(1,2,4-tr iazol-3-ylthio)}ethan-1-one?
You can request a quote for 1-(4-chlorophenyl)-2-{5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)(1,2,4-tr iazol-3-ylthio)}ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-chlorophenyl)-2-{5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)(1,2,4-tr iazol-3-ylthio)}ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-2-{5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)(1,2,4-tr iazol-3-ylthio)}ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.