![5-[1-amino-2-(1H-1,2,4-triazol-1-yl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione structure](/static/products/3384/338405-47-3.webp)
5-[1-amino-2-(1H-1,2,4-triazol-1-yl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
TL;DR: 5-[1-amino-2-(1H-1,2,4-triazol-1-yl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 338405-47-3) is a chemical compound with molecular formula C10H12N4O4 and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Also Known As: 5-[1-amino-2-(1H-1,2,4-triazol-1-yl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione, 3F-074, 5-[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-[1-Amino-2-(1H-1,2,4-triazol-1-yl)ethylidene] -2,2-dimethyl-1,3-dioxane-4,6-dione
| Molecular Formula | C10H12N4O4 |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | -0.673 |
| Topological Polar Surface Area | 109.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.08586 |
| Heavy Atoms | 18 |
| Complexity | 495.9898 |
Chemical Identifiers
| CAS Number | 338405-47-3 |
|---|---|
| SMILES | CC1(OC(=O)C(=C(CN2C=NC=N2)N)C(=O)O1)C |
Product Overview
5-[1-amino-2-(1H-1,2,4-triazol-1-yl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 338405-47-3), with molecular formula C10H12N4O4 and molecular weight 252.09 g/mol. IUPAC: 5-[1-amino-2-(1,2,4-triazol-1-yl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 5-[1-amino-2-(1H-1,2,4-triazol-1-yl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Property Insights of 5-[1-amino-2-(1H-1,2,4-triazol-1-yl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
The XLogP value of -0.673 indicates that 5-[1-amino-2-(1H-1,2,4-triazol-1-yl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 109.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[1-amino-2-(1H-1,2,4-triazol-1-yl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione. Following Lipinski's Rule of Five, 5-[1-amino-2-(1H-1,2,4-triazol-1-yl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione has 1 hydrogen bond donor(s) and 7 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 5-[1-amino-2-(1H-1,2,4-triazol-1-yl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The CAS number of 5-[1-amino-2-(1H-1,2,4-triazol-1-yl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is 338405-47-3.
What is the molecular formula of 5-[1-amino-2-(1H-1,2,4-triazol-1-yl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular formula of 5-[1-amino-2-(1H-1,2,4-triazol-1-yl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is C10H12N4O4.
What is the molecular weight of 5-[1-amino-2-(1H-1,2,4-triazol-1-yl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular weight of 5-[1-amino-2-(1H-1,2,4-triazol-1-yl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione is 252.09 g/mol.
Where can I buy 5-[1-amino-2-(1H-1,2,4-triazol-1-yl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
You can request a quote for 5-[1-amino-2-(1H-1,2,4-triazol-1-yl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[1-amino-2-(1H-1,2,4-triazol-1-yl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-[1-amino-2-(1H-1,2,4-triazol-1-yl)ethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.