6-Acetyl-2-(4-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione
TL;DR: 6-Acetyl-2-(4-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione (CAS 478042-74-9) is a chemical compound with molecular formula C12H8F3N3O3 and molecular weight 299.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-acetyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-dione
Also Known As: 6-acetyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5(2H,4H)-dione, 6-acetyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-dione, 6-acetyl-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione, 6-Acetyl-2-(4-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione, 6-Acetyl-2-4-(trifluoromethyl)phenyl-1,2,4-triazine-3,5(2H,4H)-dione
| Molecular Formula | C12H8F3N3O3 |
|---|---|
| Molecular Weight | 299.05 g/mol |
| LogP | 1.1422 |
| Topological Polar Surface Area | 84.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.0518 |
| Heavy Atoms | 21 |
| Complexity | 803.4681 |
Chemical Identifiers
| CAS Number | 478042-74-9 |
|---|---|
| SMILES | CC(=O)C1=NN(C(=O)NC1=O)C2=CC=C(C=C2)C(F)(F)F |
Product Overview
6-Acetyl-2-(4-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione (CAS 478042-74-9), with molecular formula C12H8F3N3O3 and molecular weight 299.05 g/mol. IUPAC: 6-acetyl-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-dione.
Chemical Property Profile of 6-Acetyl-2-(4-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione
Property Insights of 6-Acetyl-2-(4-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione
The XLogP value of 1.1422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Acetyl-2-(4-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione. The TPSA of 84.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Acetyl-2-(4-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione. Following Lipinski's Rule of Five, 6-Acetyl-2-(4-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione has 1 hydrogen bond donor(s) and 4 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-Acetyl-2-(4-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione?
The CAS number of 6-Acetyl-2-(4-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione is 478042-74-9.
What is the molecular formula of 6-Acetyl-2-(4-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione?
The molecular formula of 6-Acetyl-2-(4-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione is C12H8F3N3O3.
What is the molecular weight of 6-Acetyl-2-(4-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione?
The molecular weight of 6-Acetyl-2-(4-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione is 299.05 g/mol.
Where can I buy 6-Acetyl-2-(4-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione?
You can request a quote for 6-Acetyl-2-(4-(trifluoromethyl)phenyl)-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-Acetyl-2-(4-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-Acetyl-2-(4-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.