Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)butanoate
TL;DR: Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)butanoate (CAS 301223-27-8) is a chemical compound with molecular formula C9H13N3O4S and molecular weight 259.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate
Also Known As: BIM-0025843.P001, ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate, ETHYL 2-((3,5-DIOXO-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZIN-6-YL)THIO)BUTANOATE, ethyl 2-[(3,5-dihydroxy-1,2,4-triazin-6-yl)sulfanyl]butanoate, ethyl 2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)sulfanyl]butanoate
| Molecular Formula | C9H13N3O4S |
|---|---|
| Molecular Weight | 259.06 g/mol |
| LogP | -0.108 |
| Topological Polar Surface Area | 104.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.06268 |
| Heavy Atoms | 17 |
| Complexity | 495.5046 |
Chemical Identifiers
| CAS Number | 301223-27-8 |
|---|---|
| SMILES | CCC(C(=O)OCC)SC1=NNC(=O)NC1=O |
Product Overview
Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)butanoate (CAS 301223-27-8), with molecular formula C9H13N3O4S and molecular weight 259.06 g/mol. IUPAC: ethyl 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]butanoate.
Chemical Property Profile of Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)butanoate
Property Insights of Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)butanoate
The XLogP value of -0.108 indicates that Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)butanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.91 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)butanoate. Following Lipinski's Rule of Five, Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)butanoate has 2 hydrogen bond donor(s) and 6 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 Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)butanoate?
The CAS number of Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)butanoate is 301223-27-8.
What is the molecular formula of Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)butanoate?
The molecular formula of Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)butanoate is C9H13N3O4S.
What is the molecular weight of Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)butanoate?
The molecular weight of Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)butanoate is 259.06 g/mol.
Where can I buy Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)butanoate?
You can request a quote for Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-YL)thio)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.