4-Methyl-6-(1-(4-methylphenyl)-1H-pyrazol-5-yl)-2-(3-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione
TL;DR: 4-Methyl-6-(1-(4-methylphenyl)-1H-pyrazol-5-yl)-2-(3-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione (CAS 477709-53-8) is a chemical compound with molecular formula C21H16F3N5O2 and molecular weight 427.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-6-[2-(4-methylphenyl)pyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-dione
Also Known As: 4-Methyl-6-(1-(4-methylphenyl)-1H-pyrazol-5-yl)-2-(3-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione, 4-methyl-6-[2-(4-methylphenyl)pyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-dione, 4-methyl-6-[1-(4-methylphenyl)-1H-pyrazol-5-yl]-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione, 4-methyl-6-[1-(4-methylphenyl)-1H-pyrazol-5-yl]-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5(2H,4H)-dione
| Molecular Formula | C21H16F3N5O2 |
|---|---|
| Molecular Weight | 427.13 g/mol |
| LogP | 3.11112 |
| Topological Polar Surface Area | 74.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 427.1256 |
| Heavy Atoms | 31 |
| Complexity | 1381.8787 |
Chemical Identifiers
| CAS Number | 477709-53-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=CC=N2)C3=NN(C(=O)N(C3=O)C)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
4-Methyl-6-(1-(4-methylphenyl)-1H-pyrazol-5-yl)-2-(3-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione (CAS 477709-53-8), with molecular formula C21H16F3N5O2 and molecular weight 427.13 g/mol. IUPAC: 4-methyl-6-[2-(4-methylphenyl)pyrazol-3-yl]-2-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-dione.
Chemical Property Profile of 4-Methyl-6-(1-(4-methylphenyl)-1H-pyrazol-5-yl)-2-(3-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione
Property Insights of 4-Methyl-6-(1-(4-methylphenyl)-1H-pyrazol-5-yl)-2-(3-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione
The XLogP value of 3.11112 indicates that 4-Methyl-6-(1-(4-methylphenyl)-1H-pyrazol-5-yl)-2-(3-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-6-(1-(4-methylphenyl)-1H-pyrazol-5-yl)-2-(3-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione. Following Lipinski's Rule of Five, 4-Methyl-6-(1-(4-methylphenyl)-1H-pyrazol-5-yl)-2-(3-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione has 0 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 4-Methyl-6-(1-(4-methylphenyl)-1H-pyrazol-5-yl)-2-(3-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione?
The CAS number of 4-Methyl-6-(1-(4-methylphenyl)-1H-pyrazol-5-yl)-2-(3-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione is 477709-53-8.
What is the molecular formula of 4-Methyl-6-(1-(4-methylphenyl)-1H-pyrazol-5-yl)-2-(3-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione?
The molecular formula of 4-Methyl-6-(1-(4-methylphenyl)-1H-pyrazol-5-yl)-2-(3-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione is C21H16F3N5O2.
What is the molecular weight of 4-Methyl-6-(1-(4-methylphenyl)-1H-pyrazol-5-yl)-2-(3-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione?
The molecular weight of 4-Methyl-6-(1-(4-methylphenyl)-1H-pyrazol-5-yl)-2-(3-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione is 427.13 g/mol.
Where can I buy 4-Methyl-6-(1-(4-methylphenyl)-1H-pyrazol-5-yl)-2-(3-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione?
You can request a quote for 4-Methyl-6-(1-(4-methylphenyl)-1H-pyrazol-5-yl)-2-(3-(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 4-Methyl-6-(1-(4-methylphenyl)-1H-pyrazol-5-yl)-2-(3-(trifluoromethyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-6-(1-(4-methylphenyl)-1H-pyrazol-5-yl)-2-(3-(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.