![1-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)propan-2-one structure](/static/products/6592/6592-47-8.webp)
1-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)propan-2-one
TL;DR: 1-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)propan-2-one (CAS 6592-47-8) is a chemical compound with molecular formula C22H28N8OS and molecular weight 452.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
Also Known As: 1-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)propan-2-one, 1-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
| Molecular Formula | C22H28N8OS |
|---|---|
| Molecular Weight | 452.21 g/mol |
| LogP | 3.3556 |
| Topological Polar Surface Area | 100.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 452.2107 |
| Heavy Atoms | 32 |
| Complexity | 1185.8876 |
Chemical Identifiers
| CAS Number | 6592-47-8 |
|---|---|
| SMILES | CCNC1=NC2=NN=C(N2C(=N1)NCC)SCC(=O)C=C3C(C4=CC=CC=C4N3C)(C)C |
Product Overview
1-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)propan-2-one (CAS 6592-47-8), with molecular formula C22H28N8OS and molecular weight 452.21 g/mol. IUPAC: 1-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one.
Chemical Property Profile of 1-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)propan-2-one
Property Insights of 1-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)propan-2-one
The XLogP value of 3.3556 indicates that 1-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)propan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)propan-2-one. Following Lipinski's Rule of Five, 1-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)propan-2-one has 2 hydrogen bond donor(s) and 9 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-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)propan-2-one?
The CAS number of 1-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)propan-2-one is 6592-47-8.
What is the molecular formula of 1-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)propan-2-one?
The molecular formula of 1-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)propan-2-one is C22H28N8OS.
What is the molecular weight of 1-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)propan-2-one?
The molecular weight of 1-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)propan-2-one is 452.21 g/mol.
Where can I buy 1-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)propan-2-one?
You can request a quote for 1-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.