![Benzyl 2-[(5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanoate structure](/static/products/139/1396964-86-5.webp)
Benzyl 2-[(5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanoate
TL;DR: Benzyl 2-[(5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanoate (CAS 1396964-86-5) is a chemical compound with molecular formula C13H14N4O3S and molecular weight 306.07867 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]propanoate
Also Known As: BAS 00557372, SDCCGSBI-0661441.P001, benzyl N-(5-hydroxy-3-sulfanyl-1,2,4-triazin-6-yl)alaninate, benzyl 2-[(5-oxo-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanoate, benzyl 2-[(5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanoate
Technical Specifications
| Molecular Formula | C13H14N4O3S |
| Molecular Weight | 306.07867 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 306.07867 Da |
| Heavy Atoms | 21 |
| Complexity | 460.0 |
| SMILES | CC(C(=O)OCC1=CC=CC=C1)NC2=NNC(=S)NC2=O |
| InChIKey | LDLKUNXNYVANLX-UHFFFAOYSA-N |
Chemical Property Profile of Benzyl 2-[(5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanoate
Property Insights of Benzyl 2-[(5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 2-[(5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanoate. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 2-[(5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanoate. Following Lipinski's Rule of Five, Benzyl 2-[(5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanoate 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
What is the CAS number of Benzyl 2-[(5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanoate?
The CAS number of Benzyl 2-[(5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanoate is 1396964-86-5.
What is the molecular formula of Benzyl 2-[(5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanoate?
The molecular formula of Benzyl 2-[(5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanoate is C13H14N4O3S.
What is the molecular weight of Benzyl 2-[(5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanoate?
The molecular weight of Benzyl 2-[(5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanoate is 306.07867 g/mol.
Where can I buy Benzyl 2-[(5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanoate?
You can request a quote for Benzyl 2-[(5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl 2-[(5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanoate?
Yes, CoreyChem provides custom synthesis services for Benzyl 2-[(5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.