propyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate
TL;DR: propyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate (CAS 304674-85-9) is a chemical compound with molecular formula C8H11N3O4 and molecular weight 213.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate
Also Known As: BAS 00582797, propyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate, propyl (3,5-dihydroxy-1,2,4-triazin-6-yl)acetate, BRD-K63791544-001-01-4, propyl (3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)acetate
| Molecular Formula | C8H11N3O4 |
|---|---|
| Molecular Weight | 213.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 96.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 213.07495 |
| Heavy Atoms | 15 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 304674-85-9 |
|---|---|
| SMILES | CCCOC(=O)CC1=NNC(=O)NC1=O |
| InChIKey | LYPKTTBSLULQJR-UHFFFAOYSA-N |
Product Overview
propyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate (CAS 304674-85-9), with molecular formula C8H11N3O4 and molecular weight 213.07 g/mol. IUPAC: propyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate.
Chemical Property Profile of propyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate
Property Insights of propyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for propyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for propyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate. Following Lipinski's Rule of Five, propyl 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 propyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate?
The CAS number of propyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate is 304674-85-9.
What is the molecular formula of propyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate?
The molecular formula of propyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate is C8H11N3O4.
What is the molecular weight of propyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate?
The molecular weight of propyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate is 213.07 g/mol.
Where can I buy propyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate?
You can request a quote for propyl 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 propyl 2-(3,5-dioxo-2H-1,2,4-triazin-6-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for propyl 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.