![1-(2-Methyl-1H-indol-3-yl)-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone structure](/static/products/7008/700856-83-3.webp)
1-(2-Methyl-1H-indol-3-yl)-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone
TL;DR: 1-(2-Methyl-1H-indol-3-yl)-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone (CAS 700856-83-3) is a chemical compound with molecular formula C14H14N4OS and molecular weight 286.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methyl-1H-indol-3-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: ChemDiv2_004738, CBKinase1_005150, CBKinase1_017550, IDI1_003453, BAS 07100376
| Molecular Formula | C14H14N4OS |
|---|---|
| Molecular Weight | 286.09 g/mol |
| LogP | 2.57982 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.08884 |
| Heavy Atoms | 20 |
| Complexity | 774.4258 |
Chemical Identifiers
| CAS Number | 700856-83-3 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NN=CN3C |
Product Overview
1-(2-Methyl-1H-indol-3-yl)-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone (CAS 700856-83-3), with molecular formula C14H14N4OS and molecular weight 286.09 g/mol. IUPAC: 1-(2-methyl-1H-indol-3-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(2-Methyl-1H-indol-3-yl)-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone
Property Insights of 1-(2-Methyl-1H-indol-3-yl)-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone
The XLogP value of 2.57982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Methyl-1H-indol-3-yl)-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Methyl-1H-indol-3-yl)-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone. Following Lipinski's Rule of Five, 1-(2-Methyl-1H-indol-3-yl)-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-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-Methyl-1H-indol-3-yl)-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone?
The CAS number of 1-(2-Methyl-1H-indol-3-yl)-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone is 700856-83-3.
What is the molecular formula of 1-(2-Methyl-1H-indol-3-yl)-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone?
The molecular formula of 1-(2-Methyl-1H-indol-3-yl)-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone is C14H14N4OS.
What is the molecular weight of 1-(2-Methyl-1H-indol-3-yl)-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone?
The molecular weight of 1-(2-Methyl-1H-indol-3-yl)-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone is 286.09 g/mol.
Where can I buy 1-(2-Methyl-1H-indol-3-yl)-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone?
You can request a quote for 1-(2-Methyl-1H-indol-3-yl)-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-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-Methyl-1H-indol-3-yl)-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methyl-1H-indol-3-yl)-2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.