2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone
TL;DR: 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone (CAS 831189-28-7) is a chemical compound with molecular formula C17H19N5O2S and molecular weight 357.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
Also Known As: AB00684802-01, F0653-0014, 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone, 2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one, 2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone
| Molecular Formula | C17H19N5O2S |
|---|---|
| Molecular Weight | 357.13 g/mol |
| LogP | 1.9143 |
| Topological Polar Surface Area | 76.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.12595 |
| Heavy Atoms | 25 |
| Complexity | 897.4704 |
Chemical Identifiers
| CAS Number | 831189-28-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N2CCOCC2)C3=CNC4=CC=CC=C43 |
Product Overview
2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone (CAS 831189-28-7), with molecular formula C17H19N5O2S and molecular weight 357.13 g/mol. IUPAC: 2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylethanone.
Chemical Property Profile of 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone
Property Insights of 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone
The XLogP value of 1.9143 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone. The TPSA of 76.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone. Following Lipinski's Rule of Five, 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone 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 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone?
The CAS number of 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone is 831189-28-7.
What is the molecular formula of 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone?
The molecular formula of 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone is C17H19N5O2S.
What is the molecular weight of 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone?
The molecular weight of 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone is 357.13 g/mol.
Where can I buy 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone?
You can request a quote for 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-1-morpholinoethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.