3-(4-Amino-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoic acid
TL;DR: 3-(4-Amino-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoic acid (CAS 84424-74-8) is a chemical compound with molecular formula C6H8N4O3S and molecular weight 216.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-amino-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)propanoic acid
Also Known As: 3- propanoicacid, DELPHINIDIN-3-GLUCOSIDE, 3-(4-amino-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoic acid, 3-(4-amino-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)propanoic acid, F3099-6841
| Molecular Formula | C6H8N4O3S |
|---|---|
| Molecular Weight | 216.03 g/mol |
| LogP | -0.96811 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.03171 |
| Heavy Atoms | 14 |
| Complexity | 462.8798 |
Chemical Identifiers
| CAS Number | 84424-74-8 |
|---|---|
| SMILES | C(CC(=O)O)C1=NNC(=S)N(C1=O)N |
Product Overview
3-(4-Amino-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoic acid (CAS 84424-74-8), with molecular formula C6H8N4O3S and molecular weight 216.03 g/mol. IUPAC: 3-(4-amino-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)propanoic acid.
Chemical Property Profile of 3-(4-Amino-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoic acid
Property Insights of 3-(4-Amino-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoic acid
The XLogP value of -0.96811 indicates that 3-(4-Amino-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Amino-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(4-Amino-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)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 3-(4-Amino-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoic acid?
The CAS number of 3-(4-Amino-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoic acid is 84424-74-8.
What is the molecular formula of 3-(4-Amino-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoic acid?
The molecular formula of 3-(4-Amino-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoic acid is C6H8N4O3S.
What is the molecular weight of 3-(4-Amino-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoic acid?
The molecular weight of 3-(4-Amino-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoic acid is 216.03 g/mol.
Where can I buy 3-(4-Amino-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoic acid?
You can request a quote for 3-(4-Amino-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Amino-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Amino-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.