Propyl 2-((5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)amino)propanoate
TL;DR: Propyl 2-((5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)amino)propanoate (CAS 1396965-00-6) is a chemical compound with molecular formula C9H14N4O3S and molecular weight 258.07867 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propyl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]propanoate
Also Known As: BAS 00557368, PROPYL 2-((5-OXO-3-THIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZIN-6-YL)AMINO)PROPANOATE, propyl 2-[(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-6-yl)amino]propanoate, propyl N-(5-hydroxy-3-sulfanyl-1,2,4-triazin-6-yl)alaninate, propyl 2-[(5-oxo-3-thioxo-2H,4H-1,2,4-triazin-6-yl)amino]propanoate
Technical Specifications
| Molecular Formula | C9H14N4O3S |
| Molecular Weight | 258.07867 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 258.07867 Da |
| Heavy Atoms | 17 |
| Complexity | 369.0 |
| SMILES | CCCOC(=O)C(C)NC1=NNC(=S)NC1=O |
| InChIKey | ILVKJTDPVJACNN-UHFFFAOYSA-N |
Chemical Property Profile of Propyl 2-((5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)amino)propanoate
Property Insights of Propyl 2-((5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)amino)propanoate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 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 Propyl 2-((5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)amino)propanoate. Following Lipinski's Rule of Five, Propyl 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 Propyl 2-((5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)amino)propanoate?
The CAS number of Propyl 2-((5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)amino)propanoate is 1396965-00-6.
What is the molecular formula of Propyl 2-((5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)amino)propanoate?
The molecular formula of Propyl 2-((5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)amino)propanoate is C9H14N4O3S.
What is the molecular weight of Propyl 2-((5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)amino)propanoate?
The molecular weight of Propyl 2-((5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)amino)propanoate is 258.07867 g/mol.
Where can I buy Propyl 2-((5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)amino)propanoate?
You can request a quote for Propyl 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 Propyl 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 Propyl 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.