![decyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetate structure](/static/products/699/6998-57-8.png)
decyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetate
TL;DR: decyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetate (CAS 6998-57-8) is a chemical compound with molecular formula C21H28N4O2S and molecular weight 400.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetate
Also Known As: decyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetate, Decyl [(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate
| Molecular Formula | C21H28N4O2S |
|---|---|
| Molecular Weight | 400.19 g/mol |
| LogP | 5.2821 |
| Topological Polar Surface Area | 80.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 400.1933 |
| Heavy Atoms | 28 |
| Complexity | 896.3794 |
Chemical Identifiers
| CAS Number | 6998-57-8 |
|---|---|
| SMILES | CCCCCCCCCCOC(=O)CSC1=NC2=C(C3=CC=CC=C3N2)N=N1 |
Product Overview
decyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetate (CAS 6998-57-8), with molecular formula C21H28N4O2S and molecular weight 400.19 g/mol. IUPAC: decyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetate.
Chemical Property Profile of decyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetate
Property Insights of decyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetate
The XLogP value of 5.2821 indicates that decyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.76 Ų falls within the moderate polarity range, balancing permeability and solubility for decyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetate. Following Lipinski's Rule of Five, decyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of decyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetate?
The CAS number of decyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetate is 6998-57-8.
What is the molecular formula of decyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetate?
The molecular formula of decyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetate is C21H28N4O2S.
What is the molecular weight of decyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetate?
The molecular weight of decyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetate is 400.19 g/mol.
Where can I buy decyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetate?
You can request a quote for decyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for decyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for decyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.