![[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetic acid structure](/static/products/337/337489-46-0.png)
[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetic acid
TL;DR: [(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetic acid (CAS 337489-46-0) is a chemical compound with molecular formula C13H12N4O2S and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid
Also Known As: CBKinase1_001207, CBKinase1_013607, CHEMBRDG-BB5920743, [(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetic acid, 2-((5-Ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetic acid
| Molecular Formula | C13H12N4O2S |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 2.1761 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.06808 |
| Heavy Atoms | 20 |
| Complexity | 799.5164 |
Chemical Identifiers
| CAS Number | 337489-46-0 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)O |
Product Overview
[(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetic acid (CAS 337489-46-0), with molecular formula C13H12N4O2S and molecular weight 288.07 g/mol. IUPAC: 2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetic acid.
Chemical Property Profile of [(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetic acid
Property Insights of [(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetic acid
The XLogP value of 2.1761 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetic acid. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for [(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetic acid. Following Lipinski's Rule of Five, [(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetic acid has 1 hydrogen bond donor(s) and 5 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 [(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetic acid?
The CAS number of [(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetic acid is 337489-46-0.
What is the molecular formula of [(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetic acid?
The molecular formula of [(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetic acid is C13H12N4O2S.
What is the molecular weight of [(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetic acid?
The molecular weight of [(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetic acid is 288.07 g/mol.
Where can I buy [(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetic acid?
You can request a quote for [(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.