![2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanoic acid structure](/static/products/3337/333787-61-4.webp)
2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanoic acid
TL;DR: 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanoic acid (CAS 333787-61-4) is a chemical compound with molecular formula C12H10N4O2S and molecular weight 274.05 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-ylsulfanyl)propanoic acid
Also Known As: BAS 02992415, 2-((1H-[1,2,4]Triazino[5,6-b]indol-3-yl)thio)propanoic acid, 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanoic acid, 2-(2,3,6-Triazino[5,4-b]indol-3-ylthio)propanoic acid, 2-(2,3,6-TRIAZINO[5,4-B]INDOL-3-YLTHIO)PROPANOICACID
| Molecular Formula | C12H10N4O2S |
|---|---|
| Molecular Weight | 274.05 g/mol |
| LogP | 2.0713 |
| Topological Polar Surface Area | 91.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.05246 |
| Heavy Atoms | 19 |
| Complexity | 770.6054 |
Chemical Identifiers
| CAS Number | 333787-61-4 |
|---|---|
| SMILES | CC(C(=O)O)SC1=NC2=C(C3=CC=CC=C3N2)N=N1 |
Product Overview
2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanoic acid (CAS 333787-61-4), with molecular formula C12H10N4O2S and molecular weight 274.05 g/mol. IUPAC: 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanoic acid.
Chemical Property Profile of 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanoic acid
Property Insights of 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanoic acid
The XLogP value of 2.0713 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanoic acid. The TPSA of 91.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanoic acid. Following Lipinski's Rule of Five, 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanoic acid has 2 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 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanoic acid?
The CAS number of 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanoic acid is 333787-61-4.
What is the molecular formula of 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanoic acid?
The molecular formula of 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanoic acid is C12H10N4O2S.
What is the molecular weight of 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanoic acid?
The molecular weight of 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanoic acid is 274.05 g/mol.
Where can I buy 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanoic acid?
You can request a quote for 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanoic acid 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-ylsulfanyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.