![2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione structure](/static/products/5920/5920-56-9.webp)
2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione
TL;DR: 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione (CAS 5920-56-9) is a chemical compound with molecular formula C18H11N5O2S and molecular weight 361.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione
Also Known As: BIM-0037142.P001, 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione, 2-({5H-[1,2,4]TRIAZINO[5,6-B]INDOL-3-YLSULFANYL}METHYL)ISOINDOLE-1,3-DIONE, 2-[(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)methyl]-1H-isoindole-1,3(2H)-dione, 2-[(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)methyl]-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C18H11N5O2S |
|---|---|
| Molecular Weight | 361.06 g/mol |
| LogP | 2.8519 |
| Topological Polar Surface Area | 91.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.06335 |
| Heavy Atoms | 26 |
| Complexity | 1167.6143 |
Chemical Identifiers
| CAS Number | 5920-56-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NC4=C(C5=CC=CC=C5N4)N=N3 |
Product Overview
2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione (CAS 5920-56-9), with molecular formula C18H11N5O2S and molecular weight 361.06 g/mol. IUPAC: 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione.
Chemical Property Profile of 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione
Property Insights of 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione
The XLogP value of 2.8519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione. The TPSA of 91.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione. Following Lipinski's Rule of Five, 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione has 1 hydrogen bond donor(s) and 6 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 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione?
The CAS number of 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione is 5920-56-9.
What is the molecular formula of 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione?
The molecular formula of 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione is C18H11N5O2S.
What is the molecular weight of 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione?
The molecular weight of 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione is 361.06 g/mol.
Where can I buy 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione?
You can request a quote for 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)isoindole-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.