![1-(azepan-1-yl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one structure](/static/products/852/852144-47-9.png)
1-(azepan-1-yl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
TL;DR: 1-(azepan-1-yl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one (CAS 852144-47-9) is a chemical compound with molecular formula C21H27N5O2S and molecular weight 413.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)-2-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 1-(azepan-1-yl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one, F0653-0261, 2-((5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(azepan-1-yl)ethanone, 1-(azepan-1-yl)-2-[[(5Z)-5-indol-3-ylidene-4-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(azepan-1-yl)-2-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
| Molecular Formula | C21H27N5O2S |
|---|---|
| Molecular Weight | 413.19 g/mol |
| LogP | 3.5675 |
| Topological Polar Surface Area | 76.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.18854 |
| Heavy Atoms | 29 |
| Complexity | 959.04626 |
Chemical Identifiers
| CAS Number | 852144-47-9 |
|---|---|
| SMILES | COCCN1C(=NN=C1SCC(=O)N2CCCCCC2)C3=CNC4=CC=CC=C43 |
Product Overview
1-(azepan-1-yl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one (CAS 852144-47-9), with molecular formula C21H27N5O2S and molecular weight 413.19 g/mol. IUPAC: 1-(azepan-1-yl)-2-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(azepan-1-yl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Property Insights of 1-(azepan-1-yl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
The XLogP value of 3.5675 indicates that 1-(azepan-1-yl)-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 76.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(azepan-1-yl)-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-(azepan-1-yl)-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-(azepan-1-yl)-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-(azepan-1-yl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one is 852144-47-9.
What is the molecular formula of 1-(azepan-1-yl)-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-(azepan-1-yl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one is C21H27N5O2S.
What is the molecular weight of 1-(azepan-1-yl)-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-(azepan-1-yl)-2-{[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one is 413.19 g/mol.
Where can I buy 1-(azepan-1-yl)-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-(azepan-1-yl)-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-(azepan-1-yl)-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-(azepan-1-yl)-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.