![1-(4-chlorophenyl)-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one structure](/static/products/896/896351-97-6.png)
1-(4-chlorophenyl)-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
TL;DR: 1-(4-chlorophenyl)-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one (CAS 896351-97-6) is a chemical compound with molecular formula C20H17ClN4OS and molecular weight 396.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[[4-ethyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 1-(4-chlorophenyl)-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one, F0653-0245, 1-(4-chlorophenyl)-2-((4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-(4-chlorophenyl)-2-[(4-ethyl-5-indol-3-ylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone, 1-(4-chlorophenyl)-2-[[4-ethyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
| Molecular Formula | C20H17ClN4OS |
|---|---|
| Molecular Weight | 396.08 g/mol |
| LogP | 5.0747 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.08115 |
| Heavy Atoms | 27 |
| Complexity | 1100.8328 |
Chemical Identifiers
| CAS Number | 896351-97-6 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Cl)C3=CNC4=CC=CC=C43 |
Product Overview
1-(4-chlorophenyl)-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one (CAS 896351-97-6), with molecular formula C20H17ClN4OS and molecular weight 396.08 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[[4-ethyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(4-chlorophenyl)-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Property Insights of 1-(4-chlorophenyl)-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
The XLogP value of 5.0747 indicates that 1-(4-chlorophenyl)-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorophenyl)-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one has 1 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-(4-chlorophenyl)-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one?
The CAS number of 1-(4-chlorophenyl)-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one is 896351-97-6.
What is the molecular formula of 1-(4-chlorophenyl)-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one?
The molecular formula of 1-(4-chlorophenyl)-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one is C20H17ClN4OS.
What is the molecular weight of 1-(4-chlorophenyl)-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one?
The molecular weight of 1-(4-chlorophenyl)-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one is 396.08 g/mol.
Where can I buy 1-(4-chlorophenyl)-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one?
You can request a quote for 1-(4-chlorophenyl)-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}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-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-2-{[4-ethyl-5-(1H-indol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.