6-(Trifluoromethyl)-1,2,4-triazine-3,5(2H,4H)-dione
TL;DR: 6-(Trifluoromethyl)-1,2,4-triazine-3,5(2H,4H)-dione (CAS 4803-08-1) is a chemical compound with molecular formula C4H2F3N3O2 and molecular weight 181.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(trifluoromethyl)-2H-1,2,4-triazine-3,5-dione
Also Known As: 6-(Trifluoromethyl)-1,2,4-triazine-3,5(2H,4H)-dione, 5-Trifluormethyl-6-azauracil, 5-trifluoromethyl-6-azauracil, 6-(trifluoromethyl)-2H-1,2,4-triazine-3,5-dione, AE-848/30695042
| Molecular Formula | C4H2F3N3O2 |
|---|---|
| Molecular Weight | 181.01 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 70.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.00992 |
| Heavy Atoms | 12 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 4803-08-1 |
|---|---|
| SMILES | C1(=NNC(=O)NC1=O)C(F)(F)F |
| InChIKey | AJDNGVATLBEZTH-UHFFFAOYSA-N |
Product Overview
6-(Trifluoromethyl)-1,2,4-triazine-3,5(2H,4H)-dione (CAS 4803-08-1), with molecular formula C4H2F3N3O2 and molecular weight 181.01 g/mol. IUPAC: 6-(trifluoromethyl)-2H-1,2,4-triazine-3,5-dione.
Chemical Property Profile of 6-(Trifluoromethyl)-1,2,4-triazine-3,5(2H,4H)-dione
Property Insights of 6-(Trifluoromethyl)-1,2,4-triazine-3,5(2H,4H)-dione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Trifluoromethyl)-1,2,4-triazine-3,5(2H,4H)-dione. The TPSA of 70.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Trifluoromethyl)-1,2,4-triazine-3,5(2H,4H)-dione. Following Lipinski's Rule of Five, 6-(Trifluoromethyl)-1,2,4-triazine-3,5(2H,4H)-dione 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 6-(Trifluoromethyl)-1,2,4-triazine-3,5(2H,4H)-dione?
The CAS number of 6-(Trifluoromethyl)-1,2,4-triazine-3,5(2H,4H)-dione is 4803-08-1.
What is the molecular formula of 6-(Trifluoromethyl)-1,2,4-triazine-3,5(2H,4H)-dione?
The molecular formula of 6-(Trifluoromethyl)-1,2,4-triazine-3,5(2H,4H)-dione is C4H2F3N3O2.
What is the molecular weight of 6-(Trifluoromethyl)-1,2,4-triazine-3,5(2H,4H)-dione?
The molecular weight of 6-(Trifluoromethyl)-1,2,4-triazine-3,5(2H,4H)-dione is 181.01 g/mol.
Where can I buy 6-(Trifluoromethyl)-1,2,4-triazine-3,5(2H,4H)-dione?
You can request a quote for 6-(Trifluoromethyl)-1,2,4-triazine-3,5(2H,4H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Trifluoromethyl)-1,2,4-triazine-3,5(2H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-(Trifluoromethyl)-1,2,4-triazine-3,5(2H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.