![2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone structure](/static/products/575/575459-83-5.png)
2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone
TL;DR: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone (CAS 575459-83-5) is a chemical compound with molecular formula C21H13Cl3N4OS and molecular weight 473.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone
Also Known As: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone, 1-(3,4-dichlorophenyl)-2-[4-(4-chlorophenyl)-5-(4-pyridyl)(1,2,4-triazol-3-ylt hio)]ethan-1-one, 2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(3,4-dichlorophenyl)ethanone, 2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dichlorophenyl)ethan-1-one, 2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dichlorophenyl)ethanone
| Molecular Formula | C21H13Cl3N4OS |
|---|---|
| Molecular Weight | 473.99 g/mol |
| LogP | 6.2645 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.98758 |
| Heavy Atoms | 30 |
| Complexity | 1196.8644 |
Chemical Identifiers
| CAS Number | 575459-83-5 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=NN=C2SCC(=O)C3=CC(=C(C=C3)Cl)Cl)C4=CC=NC=C4)Cl |
Product Overview
2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone (CAS 575459-83-5), with molecular formula C21H13Cl3N4OS and molecular weight 473.99 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone.
Chemical Property Profile of 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone
Property Insights of 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone
The XLogP value of 6.2645 indicates that 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-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. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone. Following Lipinski's Rule of Five, 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone has 0 hydrogen bond donor(s) and 5 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-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone?
The CAS number of 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone is 575459-83-5.
What is the molecular formula of 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone?
The molecular formula of 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone is C21H13Cl3N4OS.
What is the molecular weight of 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone?
The molecular weight of 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone is 473.99 g/mol.
Where can I buy 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone?
You can request a quote for 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-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-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dichlorophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-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.