![6-methyl-3-(propylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole structure](/static/products/548/5486-80-6.png)
6-methyl-3-(propylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole
TL;DR: 6-methyl-3-(propylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole (CAS 5486-80-6) is a chemical compound with molecular formula C13H14N4S and molecular weight 258.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-3-propylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole
Also Known As: ChemDiv1_019477, BIM-0022267.P001, 6-methyl-3-(propylthio)-5H-[1,2,4]triazino[5,6-b]indole, 6-methyl-3-(propylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole, 6-methyl-3-propylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole
| Molecular Formula | C13H14N4S |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 3.31662 |
| Topological Polar Surface Area | 54.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.0939 |
| Heavy Atoms | 18 |
| Complexity | 704.5953 |
Chemical Identifiers
| CAS Number | 5486-80-6 |
|---|---|
| SMILES | CCCSC1=NC2=C(C3=CC=CC(=C3N2)C)N=N1 |
Product Overview
6-methyl-3-(propylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole (CAS 5486-80-6), with molecular formula C13H14N4S and molecular weight 258.09 g/mol. IUPAC: 6-methyl-3-propylsulfanyl-5H-[1,2,4]triazino[5,6-b]indole.
Chemical Property Profile of 6-methyl-3-(propylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole
Property Insights of 6-methyl-3-(propylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole
The XLogP value of 3.31662 indicates that 6-methyl-3-(propylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.46 Ų, 6-methyl-3-(propylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-methyl-3-(propylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole 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 6-methyl-3-(propylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole?
The CAS number of 6-methyl-3-(propylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole is 5486-80-6.
What is the molecular formula of 6-methyl-3-(propylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole?
The molecular formula of 6-methyl-3-(propylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole is C13H14N4S.
What is the molecular weight of 6-methyl-3-(propylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole?
The molecular weight of 6-methyl-3-(propylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole is 258.09 g/mol.
Where can I buy 6-methyl-3-(propylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole?
You can request a quote for 6-methyl-3-(propylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-methyl-3-(propylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole?
Yes, KEHONG BIO provides custom synthesis services for 6-methyl-3-(propylsulfanyl)-5H-[1,2,4]triazino[5,6-b]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.