![1-(3,4-dichlorophenyl)-2-[4-(4-chlorophenyl)-5-(3-chlorophenyl)(1,2,4-triazol- 3-ylthio)]ethan-1-one structure](/static/products/899/899390-26-2.png)
1-(3,4-dichlorophenyl)-2-[4-(4-chlorophenyl)-5-(3-chlorophenyl)(1,2,4-triazol- 3-ylthio)]ethan-1-one
TL;DR: 1-(3,4-dichlorophenyl)-2-[4-(4-chlorophenyl)-5-(3-chlorophenyl)(1,2,4-triazol- 3-ylthio)]ethan-1-one (CAS 899390-26-2) is a chemical compound with molecular formula C22H13Cl4N3OS and molecular weight 506.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone
Also Known As: 1-(3,4-dichlorophenyl)-2-[4-(4-chlorophenyl)-5-(3-chlorophenyl)(1,2,4-triazol- 3-ylthio)]ethan-1-one, 2-((5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(3,4-dichlorophenyl)ethanone, 2-[[5-(3-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone, 2-{[5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dichlorophenyl)ethan-1-one, 2-{[5-(3-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dichlorophenyl)ethanone
| Molecular Formula | C22H13Cl4N3OS |
|---|---|
| Molecular Weight | 506.95 g/mol |
| LogP | 7.5229 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 506.95334 |
| Heavy Atoms | 31 |
| Complexity | 1258.1082 |
Chemical Identifiers
| CAS Number | 899390-26-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)C4=CC(=C(C=C4)Cl)Cl |
Product Overview
1-(3,4-dichlorophenyl)-2-[4-(4-chlorophenyl)-5-(3-chlorophenyl)(1,2,4-triazol- 3-ylthio)]ethan-1-one (CAS 899390-26-2), with molecular formula C22H13Cl4N3OS and molecular weight 506.95 g/mol. IUPAC: 2-[[5-(3-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone.
Chemical Property Profile of 1-(3,4-dichlorophenyl)-2-[4-(4-chlorophenyl)-5-(3-chlorophenyl)(1,2,4-triazol- 3-ylthio)]ethan-1-one
Property Insights of 1-(3,4-dichlorophenyl)-2-[4-(4-chlorophenyl)-5-(3-chlorophenyl)(1,2,4-triazol- 3-ylthio)]ethan-1-one
The XLogP value of 7.5229 indicates that 1-(3,4-dichlorophenyl)-2-[4-(4-chlorophenyl)-5-(3-chlorophenyl)(1,2,4-triazol- 3-ylthio)]ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, 1-(3,4-dichlorophenyl)-2-[4-(4-chlorophenyl)-5-(3-chlorophenyl)(1,2,4-triazol- 3-ylthio)]ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-dichlorophenyl)-2-[4-(4-chlorophenyl)-5-(3-chlorophenyl)(1,2,4-triazol- 3-ylthio)]ethan-1-one 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 1-(3,4-dichlorophenyl)-2-[4-(4-chlorophenyl)-5-(3-chlorophenyl)(1,2,4-triazol- 3-ylthio)]ethan-1-one?
The CAS number of 1-(3,4-dichlorophenyl)-2-[4-(4-chlorophenyl)-5-(3-chlorophenyl)(1,2,4-triazol- 3-ylthio)]ethan-1-one is 899390-26-2.
What is the molecular formula of 1-(3,4-dichlorophenyl)-2-[4-(4-chlorophenyl)-5-(3-chlorophenyl)(1,2,4-triazol- 3-ylthio)]ethan-1-one?
The molecular formula of 1-(3,4-dichlorophenyl)-2-[4-(4-chlorophenyl)-5-(3-chlorophenyl)(1,2,4-triazol- 3-ylthio)]ethan-1-one is C22H13Cl4N3OS.
What is the molecular weight of 1-(3,4-dichlorophenyl)-2-[4-(4-chlorophenyl)-5-(3-chlorophenyl)(1,2,4-triazol- 3-ylthio)]ethan-1-one?
The molecular weight of 1-(3,4-dichlorophenyl)-2-[4-(4-chlorophenyl)-5-(3-chlorophenyl)(1,2,4-triazol- 3-ylthio)]ethan-1-one is 506.95 g/mol.
Where can I buy 1-(3,4-dichlorophenyl)-2-[4-(4-chlorophenyl)-5-(3-chlorophenyl)(1,2,4-triazol- 3-ylthio)]ethan-1-one?
You can request a quote for 1-(3,4-dichlorophenyl)-2-[4-(4-chlorophenyl)-5-(3-chlorophenyl)(1,2,4-triazol- 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-(3,4-dichlorophenyl)-2-[4-(4-chlorophenyl)-5-(3-chlorophenyl)(1,2,4-triazol- 3-ylthio)]ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dichlorophenyl)-2-[4-(4-chlorophenyl)-5-(3-chlorophenyl)(1,2,4-triazol- 3-ylthio)]ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.