![2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone structure](/static/products/896/896838-06-5.png)
2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone
TL;DR: 2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone (CAS 896838-06-5) is a chemical compound with molecular formula C17H12Cl3N3OS and molecular weight 410.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone
Also Known As: 2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone, 1-(3,4-dichlorophenyl)-2-[5-(3-chlorophenyl)-4-methyl(1,2,4-triazol-3-ylthio)] ethan-1-one, 2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-(3,4-dichlorophenyl)ethanone, 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dichlorophenyl)ethan-1-one, 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dichlorophenyl)ethanone
| Molecular Formula | C17H12Cl3N3OS |
|---|---|
| Molecular Weight | 410.98 g/mol |
| LogP | 5.4173 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.97665 |
| Heavy Atoms | 25 |
| Complexity | 942.6376 |
Chemical Identifiers
| CAS Number | 896838-06-5 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)C2=CC(=C(C=C2)Cl)Cl)C3=CC(=CC=C3)Cl |
Product Overview
2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone (CAS 896838-06-5), with molecular formula C17H12Cl3N3OS and molecular weight 410.98 g/mol. IUPAC: 2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone.
Chemical Property Profile of 2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone
Property Insights of 2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone
The XLogP value of 5.4173 indicates that 2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, 2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone has 0 hydrogen bond donor(s) and 4 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-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone?
The CAS number of 2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone is 896838-06-5.
What is the molecular formula of 2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone?
The molecular formula of 2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone is C17H12Cl3N3OS.
What is the molecular weight of 2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone?
The molecular weight of 2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone is 410.98 g/mol.
Where can I buy 2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone?
You can request a quote for 2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)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-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.