![1-(4-chlorophenyl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one structure](/static/products/852/852145-34-7.png)
1-(4-chlorophenyl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
TL;DR: 1-(4-chlorophenyl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one (CAS 852145-34-7) is a chemical compound with molecular formula C21H19ClN4O2S and molecular weight 426.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 1-(4-chlorophenyl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one, F0653-0369, 2-((5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-chlorophenyl)ethanone, 1-(4-chlorophenyl)-2-[[(5Z)-5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(4-chlorophenyl)-2-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
| Molecular Formula | C21H19ClN4O2S |
|---|---|
| Molecular Weight | 426.09 g/mol |
| LogP | 4.7012 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 426.09174 |
| Heavy Atoms | 29 |
| Complexity | 1137.2622 |
Chemical Identifiers
| CAS Number | 852145-34-7 |
|---|---|
| SMILES | COCCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Cl)C3=CNC4=CC=CC=C43 |
Product Overview
1-(4-chlorophenyl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one (CAS 852145-34-7), with molecular formula C21H19ClN4O2S and molecular weight 426.09 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(4-chlorophenyl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Property Insights of 1-(4-chlorophenyl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
The XLogP value of 4.7012 indicates that 1-(4-chlorophenyl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-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 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorophenyl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4-chlorophenyl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one?
The CAS number of 1-(4-chlorophenyl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one is 852145-34-7.
What is the molecular formula of 1-(4-chlorophenyl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one?
The molecular formula of 1-(4-chlorophenyl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one is C21H19ClN4O2S.
What is the molecular weight of 1-(4-chlorophenyl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one?
The molecular weight of 1-(4-chlorophenyl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one is 426.09 g/mol.
Where can I buy 1-(4-chlorophenyl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one?
You can request a quote for 1-(4-chlorophenyl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-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-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-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.