4-(3,5-Dioxo-1,2,4-triazin-2-yl)but-2-enyl acetate
TL;DR: 4-(3,5-Dioxo-1,2,4-triazin-2-yl)but-2-enyl acetate (CAS 872722-39-9) is a chemical compound with molecular formula C9H11N3O4 and molecular weight 225.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,5-dioxo-1,2,4-triazin-2-yl)but-2-enyl acetate
Also Known As: NCI60_028185, NCI60_028186, 4-(3,5-dioxo-1,2,4-triazin-2-yl)but-2-enyl acetate, 4-(3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3h)-yl)but-2-en-1-yl acetate, 1,2,4-Triazine-3,5(2H,4H)-dione, 2-[(2E)-4-(acetyloxy)-2-butenyl]-
| Molecular Formula | C9H11N3O4 |
|---|---|
| Molecular Weight | 225.07 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 225.07495 |
| Heavy Atoms | 16 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 872722-39-9 |
|---|---|
| SMILES | CC(=O)OCC=CCN1C(=O)NC(=O)C=N1 |
| InChIKey | LOMCVIBNJVYAJR-UHFFFAOYSA-N |
Product Overview
4-(3,5-Dioxo-1,2,4-triazin-2-yl)but-2-enyl acetate (CAS 872722-39-9), with molecular formula C9H11N3O4 and molecular weight 225.07 g/mol. IUPAC: 4-(3,5-dioxo-1,2,4-triazin-2-yl)but-2-enyl acetate.
Chemical Property Profile of 4-(3,5-Dioxo-1,2,4-triazin-2-yl)but-2-enyl acetate
Property Insights of 4-(3,5-Dioxo-1,2,4-triazin-2-yl)but-2-enyl acetate
The XLogP value of -0.5 indicates that 4-(3,5-Dioxo-1,2,4-triazin-2-yl)but-2-enyl acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,5-Dioxo-1,2,4-triazin-2-yl)but-2-enyl acetate. Following Lipinski's Rule of Five, 4-(3,5-Dioxo-1,2,4-triazin-2-yl)but-2-enyl acetate has 1 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 4-(3,5-Dioxo-1,2,4-triazin-2-yl)but-2-enyl acetate?
The CAS number of 4-(3,5-Dioxo-1,2,4-triazin-2-yl)but-2-enyl acetate is 872722-39-9.
What is the molecular formula of 4-(3,5-Dioxo-1,2,4-triazin-2-yl)but-2-enyl acetate?
The molecular formula of 4-(3,5-Dioxo-1,2,4-triazin-2-yl)but-2-enyl acetate is C9H11N3O4.
What is the molecular weight of 4-(3,5-Dioxo-1,2,4-triazin-2-yl)but-2-enyl acetate?
The molecular weight of 4-(3,5-Dioxo-1,2,4-triazin-2-yl)but-2-enyl acetate is 225.07 g/mol.
Where can I buy 4-(3,5-Dioxo-1,2,4-triazin-2-yl)but-2-enyl acetate?
You can request a quote for 4-(3,5-Dioxo-1,2,4-triazin-2-yl)but-2-enyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,5-Dioxo-1,2,4-triazin-2-yl)but-2-enyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,5-Dioxo-1,2,4-triazin-2-yl)but-2-enyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.