![3-(benzylsulfanyl)-5-ethyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole structure](/static/products/861/861122-55-6.png)
3-(benzylsulfanyl)-5-ethyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole
TL;DR: 3-(benzylsulfanyl)-5-ethyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole (CAS 861122-55-6) is a chemical compound with molecular formula C19H18N4S and molecular weight 334.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-5-ethyl-8-methyl-[1,2,4]triazino[5,6-b]indole
Also Known As: 3-(benzylthio)-5-ethyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole, 3-benzylsulfanyl-5-ethyl-8-methyl-[1,2,4]triazino[5,6-b]indole, 3-(benzylsulfanyl)-5-ethyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole
| Molecular Formula | C19H18N4S |
|---|---|
| Molecular Weight | 334.13 g/mol |
| LogP | 4.60012 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.1252 |
| Heavy Atoms | 24 |
| Complexity | 1008.1649 |
Chemical Identifiers
| CAS Number | 861122-55-6 |
|---|---|
| SMILES | CCN1C2=C(C=C(C=C2)C)C3=C1N=C(N=N3)SCC4=CC=CC=C4 |
Product Overview
3-(benzylsulfanyl)-5-ethyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole (CAS 861122-55-6), with molecular formula C19H18N4S and molecular weight 334.13 g/mol. IUPAC: 3-benzylsulfanyl-5-ethyl-8-methyl-[1,2,4]triazino[5,6-b]indole.
Chemical Property Profile of 3-(benzylsulfanyl)-5-ethyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole
Property Insights of 3-(benzylsulfanyl)-5-ethyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole
The XLogP value of 4.60012 indicates that 3-(benzylsulfanyl)-5-ethyl-8-methyl-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 43.6 Ų, 3-(benzylsulfanyl)-5-ethyl-8-methyl-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, 3-(benzylsulfanyl)-5-ethyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole has 0 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 3-(benzylsulfanyl)-5-ethyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole?
The CAS number of 3-(benzylsulfanyl)-5-ethyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole is 861122-55-6.
What is the molecular formula of 3-(benzylsulfanyl)-5-ethyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole?
The molecular formula of 3-(benzylsulfanyl)-5-ethyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole is C19H18N4S.
What is the molecular weight of 3-(benzylsulfanyl)-5-ethyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole?
The molecular weight of 3-(benzylsulfanyl)-5-ethyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole is 334.13 g/mol.
Where can I buy 3-(benzylsulfanyl)-5-ethyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole?
You can request a quote for 3-(benzylsulfanyl)-5-ethyl-8-methyl-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 3-(benzylsulfanyl)-5-ethyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzylsulfanyl)-5-ethyl-8-methyl-5H-[1,2,4]triazino[5,6-b]indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.