![ethyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanoate structure](/static/products/333/333787-62-5.png)
ethyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanoate
TL;DR: ethyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanoate (CAS 333787-62-5) is a chemical compound with molecular formula C15H16N4O2S and molecular weight 316.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanoate
Also Known As: BAS 02992418, Ethyl 2-(5H-1,2,4-triazino[5,6-b]indol-3-ylthio)butanoate, ethyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanoate, 2-(9H-1,3,4,9-Tetraaza-fluoren-2-ylsulfanyl)-butyric acid ethyl ester, Ethyl 2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanoate
| Molecular Formula | C15H16N4O2S |
|---|---|
| Molecular Weight | 316.10 g/mol |
| LogP | 2.9399 |
| Topological Polar Surface Area | 80.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.0994 |
| Heavy Atoms | 22 |
| Complexity | 817.5188 |
Chemical Identifiers
| CAS Number | 333787-62-5 |
|---|---|
| SMILES | CCC(C(=O)OCC)SC1=NC2=C(C3=CC=CC=C3N2)N=N1 |
Product Overview
ethyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanoate (CAS 333787-62-5), with molecular formula C15H16N4O2S and molecular weight 316.10 g/mol. IUPAC: ethyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanoate.
Chemical Property Profile of ethyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanoate
Property Insights of ethyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanoate
The XLogP value of 2.9399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanoate. The TPSA of 80.76 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanoate. Following Lipinski's Rule of Five, ethyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanoate 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 ethyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanoate?
The CAS number of ethyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanoate is 333787-62-5.
What is the molecular formula of ethyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanoate?
The molecular formula of ethyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanoate is C15H16N4O2S.
What is the molecular weight of ethyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanoate?
The molecular weight of ethyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanoate is 316.10 g/mol.
Where can I buy ethyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanoate?
You can request a quote for ethyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.