![2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanone structure](/static/products/849/849189-50-0.png)
2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanone
TL;DR: 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanone (CAS 849189-50-0) is a chemical compound with molecular formula C13H15N5OS and molecular weight 289.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
Also Known As: 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanone, 2-((5-amino-4H-1,2,4-triazol-3-yl)thio)-1-(2-methylindolin-1-yl)ethanone, 2-(5-amino(4H-1,2,4-triazol-3-ylthio))-1-(2-methylindolinyl)ethan-1-one, 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
| Molecular Formula | C13H15N5OS |
|---|---|
| Molecular Weight | 289.10 g/mol |
| LogP | 1.4568 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.09973 |
| Heavy Atoms | 20 |
| Complexity | 641.19666 |
Chemical Identifiers
| CAS Number | 849189-50-0 |
|---|---|
| SMILES | CC1CC2=CC=CC=C2N1C(=O)CSC3=NNC(=N3)N |
Product Overview
2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanone (CAS 849189-50-0), with molecular formula C13H15N5OS and molecular weight 289.10 g/mol. IUPAC: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone.
Chemical Property Profile of 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanone
Property Insights of 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanone
The XLogP value of 1.4568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanone. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanone. Following Lipinski's Rule of Five, 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanone has 2 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-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanone?
The CAS number of 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanone is 849189-50-0.
What is the molecular formula of 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanone?
The molecular formula of 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanone is C13H15N5OS.
What is the molecular weight of 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanone?
The molecular weight of 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanone is 289.10 g/mol.
Where can I buy 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanone?
You can request a quote for 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(2-methyl-2,3-dihydro-1H-indol-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.