![1-[[2-(3-benzyl-6-oxo-2,5-dihydro-1H-1,2,4-triazin-5-yl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea structure](/static/products/459/459789-73-2.png)
1-[[2-(3-benzyl-6-oxo-2,5-dihydro-1H-1,2,4-triazin-5-yl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea
TL;DR: 1-[[2-(3-benzyl-6-oxo-2,5-dihydro-1H-1,2,4-triazin-5-yl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea (CAS 459789-73-2) is a chemical compound with molecular formula C20H19F3N6O3 and molecular weight 448.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[2-(3-benzyl-6-oxo-2,5-dihydro-1H-1,2,4-triazin-5-yl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea
Also Known As: 1-[[2-(3-benzyl-6-oxo-2,5-dihydro-1H-1,2,4-triazin-5-yl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea, 2-(2-(3-benzyl-6-oxo-1,4,5,6-tetrahydro-1,2,4-triazin-5-yl)acetyl)-N-(3-(trifluoromethyl)phenyl)hydrazinecarboxamide, 2-[(3-benzyl-6-oxo-1,4,5,6-tetrahydro-1,2,4-triazin-5-yl)acetyl]-N-[3-(trifluoromethyl)phenyl]hydrazinecarboxamide (non-preferred name)
| Molecular Formula | C20H19F3N6O3 |
|---|---|
| Molecular Weight | 448.15 g/mol |
| LogP | 1.8924 |
| Topological Polar Surface Area | 123.72 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.14706 |
| Heavy Atoms | 32 |
| Complexity | 1026.7404 |
Chemical Identifiers
| CAS Number | 459789-73-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NC(C(=O)NN2)CC(=O)NNC(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
1-[[2-(3-benzyl-6-oxo-2,5-dihydro-1H-1,2,4-triazin-5-yl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea (CAS 459789-73-2), with molecular formula C20H19F3N6O3 and molecular weight 448.15 g/mol. IUPAC: 1-[[2-(3-benzyl-6-oxo-2,5-dihydro-1H-1,2,4-triazin-5-yl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea.
Chemical Property Profile of 1-[[2-(3-benzyl-6-oxo-2,5-dihydro-1H-1,2,4-triazin-5-yl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea
Property Insights of 1-[[2-(3-benzyl-6-oxo-2,5-dihydro-1H-1,2,4-triazin-5-yl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea
The XLogP value of 1.8924 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[[2-(3-benzyl-6-oxo-2,5-dihydro-1H-1,2,4-triazin-5-yl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea. The TPSA of 123.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[[2-(3-benzyl-6-oxo-2,5-dihydro-1H-1,2,4-triazin-5-yl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea. Following Lipinski's Rule of Five, 1-[[2-(3-benzyl-6-oxo-2,5-dihydro-1H-1,2,4-triazin-5-yl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea has 5 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 1-[[2-(3-benzyl-6-oxo-2,5-dihydro-1H-1,2,4-triazin-5-yl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea?
The CAS number of 1-[[2-(3-benzyl-6-oxo-2,5-dihydro-1H-1,2,4-triazin-5-yl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea is 459789-73-2.
What is the molecular formula of 1-[[2-(3-benzyl-6-oxo-2,5-dihydro-1H-1,2,4-triazin-5-yl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea?
The molecular formula of 1-[[2-(3-benzyl-6-oxo-2,5-dihydro-1H-1,2,4-triazin-5-yl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea is C20H19F3N6O3.
What is the molecular weight of 1-[[2-(3-benzyl-6-oxo-2,5-dihydro-1H-1,2,4-triazin-5-yl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea?
The molecular weight of 1-[[2-(3-benzyl-6-oxo-2,5-dihydro-1H-1,2,4-triazin-5-yl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea is 448.15 g/mol.
Where can I buy 1-[[2-(3-benzyl-6-oxo-2,5-dihydro-1H-1,2,4-triazin-5-yl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea?
You can request a quote for 1-[[2-(3-benzyl-6-oxo-2,5-dihydro-1H-1,2,4-triazin-5-yl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[[2-(3-benzyl-6-oxo-2,5-dihydro-1H-1,2,4-triazin-5-yl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-[[2-(3-benzyl-6-oxo-2,5-dihydro-1H-1,2,4-triazin-5-yl)acetyl]amino]-3-[3-(trifluoromethyl)phenyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.