![5H-1,2,4-Triazino[5,6-b]indole, 5-ethyl-3-[(phenylmethyl)thio]- structure](/static/products/1128/112800-84-7.webp)
5H-1,2,4-Triazino[5,6-b]indole, 5-ethyl-3-[(phenylmethyl)thio]-
TL;DR: 5H-1,2,4-Triazino[5,6-b]indole, 5-ethyl-3-[(phenylmethyl)thio]- (CAS 112800-84-7) is a chemical compound with molecular formula C18H16N4S and molecular weight 320.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-5-ethyl-[1,2,4]triazino[5,6-b]indole
Also Known As: 5H-1,2,4-Triazino[5,6-b]indole, 5-ethyl-3-[(phenylmethyl)thio]-, 3-benzylsulfanyl-5-ethyl-[1,2,4]triazino[5,6-b]indole, 3-(BENZYLSULFANYL)-5-ETHYL-5H-[1,2,4]TRIAZINO[5,6-B]INDOLE, 3-(benzylthio)-5-ethyl-5H-[1,2,4]triazino[5,6-b]indole, 5-ethyl-3-(phenylmethylthio)-1,2,4-triazino[5,6-b]indole
| Molecular Formula | C18H16N4S |
|---|---|
| Molecular Weight | 320.11 g/mol |
| LogP | 4.2917 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.10956 |
| Heavy Atoms | 23 |
| Complexity | 962.7604 |
Chemical Identifiers
| CAS Number | 112800-84-7 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC4=CC=CC=C4 |
Product Overview
5H-1,2,4-Triazino[5,6-b]indole, 5-ethyl-3-[(phenylmethyl)thio]- (CAS 112800-84-7), with molecular formula C18H16N4S and molecular weight 320.11 g/mol. IUPAC: 3-benzylsulfanyl-5-ethyl-[1,2,4]triazino[5,6-b]indole.
Chemical Property Profile of 5H-1,2,4-Triazino[5,6-b]indole, 5-ethyl-3-[(phenylmethyl)thio]-
Property Insights of 5H-1,2,4-Triazino[5,6-b]indole, 5-ethyl-3-[(phenylmethyl)thio]-
The XLogP value of 4.2917 indicates that 5H-1,2,4-Triazino[5,6-b]indole, 5-ethyl-3-[(phenylmethyl)thio]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 5H-1,2,4-Triazino[5,6-b]indole, 5-ethyl-3-[(phenylmethyl)thio]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-1,2,4-Triazino[5,6-b]indole, 5-ethyl-3-[(phenylmethyl)thio]- 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 5H-1,2,4-Triazino[5,6-b]indole, 5-ethyl-3-[(phenylmethyl)thio]-?
The CAS number of 5H-1,2,4-Triazino[5,6-b]indole, 5-ethyl-3-[(phenylmethyl)thio]- is 112800-84-7.
What is the molecular formula of 5H-1,2,4-Triazino[5,6-b]indole, 5-ethyl-3-[(phenylmethyl)thio]-?
The molecular formula of 5H-1,2,4-Triazino[5,6-b]indole, 5-ethyl-3-[(phenylmethyl)thio]- is C18H16N4S.
What is the molecular weight of 5H-1,2,4-Triazino[5,6-b]indole, 5-ethyl-3-[(phenylmethyl)thio]-?
The molecular weight of 5H-1,2,4-Triazino[5,6-b]indole, 5-ethyl-3-[(phenylmethyl)thio]- is 320.11 g/mol.
Where can I buy 5H-1,2,4-Triazino[5,6-b]indole, 5-ethyl-3-[(phenylmethyl)thio]-?
You can request a quote for 5H-1,2,4-Triazino[5,6-b]indole, 5-ethyl-3-[(phenylmethyl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-1,2,4-Triazino[5,6-b]indole, 5-ethyl-3-[(phenylmethyl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for 5H-1,2,4-Triazino[5,6-b]indole, 5-ethyl-3-[(phenylmethyl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.