2-((3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoic acid
TL;DR: 2-((3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoic acid (CAS 290834-98-9) is a chemical compound with molecular formula C6H7N3O4S and molecular weight 217.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoic acid
Also Known As: AB00682123-01, AE-848/32100060, 2-((3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZIN-6-YL)THIO)PROPANOIC ACID, 2-[(3,5-dihydroxy-1,2,4-triazin-6-yl)sulfanyl]propanoic acid, 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoic Acid
| Molecular Formula | C6H7N3O4S |
|---|---|
| Molecular Weight | 217.02 g/mol |
| LogP | -0.9766 |
| Topological Polar Surface Area | 115.91 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.01573 |
| Heavy Atoms | 14 |
| Complexity | 450.8801 |
Chemical Identifiers
| CAS Number | 290834-98-9 |
|---|---|
| SMILES | CC(C(=O)O)SC1=NNC(=O)NC1=O |
Product Overview
2-((3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoic acid (CAS 290834-98-9), with molecular formula C6H7N3O4S and molecular weight 217.02 g/mol. IUPAC: 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]propanoic acid.
Chemical Property Profile of 2-((3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoic acid
Property Insights of 2-((3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoic acid
The XLogP value of -0.9766 indicates that 2-((3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoic acid. Following Lipinski's Rule of Five, 2-((3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoic acid has 3 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-((3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoic acid?
The CAS number of 2-((3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoic acid is 290834-98-9.
What is the molecular formula of 2-((3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoic acid?
The molecular formula of 2-((3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoic acid is C6H7N3O4S.
What is the molecular weight of 2-((3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoic acid?
The molecular weight of 2-((3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoic acid is 217.02 g/mol.
Where can I buy 2-((3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoic acid?
You can request a quote for 2-((3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)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-((3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.