![1-(2,3-dimethyl-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone structure](/static/products/4887/488718-06-5.webp)
1-(2,3-dimethyl-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
TL;DR: 1-(2,3-dimethyl-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone (CAS 488718-06-5) is a chemical compound with molecular formula C20H18N4OS and molecular weight 362.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dimethylindol-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: 1-(2,3-dimethyl-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone, 1-(2,3-dimethylindol-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone, 1-(2,3-dimethyl-1H-indol-1-yl)-2-((5-phenyl-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-(2,3-dimethylindolyl)-2-(5-phenyl(4H-1,2,4-triazol-3-ylthio))ethan-1-one, 1-(2,3-DIMETHYL-1H-INDOL-1-YL)-2-[(5-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ETHAN-1-ONE
| Molecular Formula | C20H18N4OS |
|---|---|
| Molecular Weight | 362.12 g/mol |
| LogP | 4.47574 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.12012 |
| Heavy Atoms | 26 |
| Complexity | 1081.8457 |
Chemical Identifiers
| CAS Number | 488718-06-5 |
|---|---|
| SMILES | CC1=C(N(C2=CC=CC=C12)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4)C |
Product Overview
1-(2,3-dimethyl-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone (CAS 488718-06-5), with molecular formula C20H18N4OS and molecular weight 362.12 g/mol. IUPAC: 1-(2,3-dimethylindol-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(2,3-dimethyl-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
Property Insights of 1-(2,3-dimethyl-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
The XLogP value of 4.47574 indicates that 1-(2,3-dimethyl-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone 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-(2,3-dimethyl-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone. Following Lipinski's Rule of Five, 1-(2,3-dimethyl-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone has 1 hydrogen bond donor(s) and 4 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-(2,3-dimethyl-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The CAS number of 1-(2,3-dimethyl-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone is 488718-06-5.
What is the molecular formula of 1-(2,3-dimethyl-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The molecular formula of 1-(2,3-dimethyl-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone is C20H18N4OS.
What is the molecular weight of 1-(2,3-dimethyl-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The molecular weight of 1-(2,3-dimethyl-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone is 362.12 g/mol.
Where can I buy 1-(2,3-dimethyl-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
You can request a quote for 1-(2,3-dimethyl-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,3-dimethyl-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3-dimethyl-1H-indol-1-yl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.