butyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate
TL;DR: butyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate (CAS 304674-86-0) is a chemical compound with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate
Also Known As: butyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate, butyl (3,5-dihydroxy-1,2,4-triazin-6-yl)acetate, butyl 2-(3,5-dioxo-2H,4H-1,2,4-triazin-6-yl)acetate, butyl (3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)acetate, butyl 2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)acetate
| Molecular Formula | C9H13N3O4 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | -0.656 |
| Topological Polar Surface Area | 104.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.0906 |
| Heavy Atoms | 16 |
| Complexity | 462.31216 |
Chemical Identifiers
| CAS Number | 304674-86-0 |
|---|---|
| SMILES | CCCCOC(=O)CC1=NNC(=O)NC1=O |
Product Overview
butyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate (CAS 304674-86-0), with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol. IUPAC: butyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate.
Chemical Property Profile of butyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate
Property Insights of butyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate
The XLogP value of -0.656 indicates that butyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate 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 butyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate. Following Lipinski's Rule of Five, butyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate has 2 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 butyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate?
The CAS number of butyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate is 304674-86-0.
What is the molecular formula of butyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate?
The molecular formula of butyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate is C9H13N3O4.
What is the molecular weight of butyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate?
The molecular weight of butyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate is 227.09 g/mol.
Where can I buy butyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate?
You can request a quote for butyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for butyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.