![2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 4-(trifluoromethyl)benzenecarboxylate structure](/static/products/866/866137-39-5.png)
2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 4-(trifluoromethyl)benzenecarboxylate
TL;DR: 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 4-(trifluoromethyl)benzenecarboxylate (CAS 866137-39-5) is a chemical compound with molecular formula C16H13F3N4O3 and molecular weight 366.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 4-(trifluoromethyl)benzoate
Also Known As: 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 4-(trifluoromethyl)benzenecarboxylate, 8T-0289, 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 4-(trifluoromethyl)benzoate, 2-{5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethyl 4-(trifluoromethyl)benzoate, 2-{5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethyl4-(trifluoromethyl)benzoate
| Molecular Formula | C16H13F3N4O3 |
|---|---|
| Molecular Weight | 366.09 g/mol |
| LogP | 2.14432 |
| Topological Polar Surface Area | 89.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.09396 |
| Heavy Atoms | 26 |
| Complexity | 1006.23724 |
Chemical Identifiers
| CAS Number | 866137-39-5 |
|---|---|
| SMILES | CC1=C(C(=O)N2C(=N1)N=CN2)CCOC(=O)C3=CC=C(C=C3)C(F)(F)F |
Product Overview
2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 4-(trifluoromethyl)benzenecarboxylate (CAS 866137-39-5), with molecular formula C16H13F3N4O3 and molecular weight 366.09 g/mol. IUPAC: 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 4-(trifluoromethyl)benzoate.
Chemical Property Profile of 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 4-(trifluoromethyl)benzenecarboxylate
Property Insights of 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 4-(trifluoromethyl)benzenecarboxylate
The XLogP value of 2.14432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 4-(trifluoromethyl)benzenecarboxylate. The TPSA of 89.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 4-(trifluoromethyl)benzenecarboxylate. Following Lipinski's Rule of Five, 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 4-(trifluoromethyl)benzenecarboxylate has 1 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 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 4-(trifluoromethyl)benzenecarboxylate?
The CAS number of 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 4-(trifluoromethyl)benzenecarboxylate is 866137-39-5.
What is the molecular formula of 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 4-(trifluoromethyl)benzenecarboxylate?
The molecular formula of 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 4-(trifluoromethyl)benzenecarboxylate is C16H13F3N4O3.
What is the molecular weight of 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 4-(trifluoromethyl)benzenecarboxylate?
The molecular weight of 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 4-(trifluoromethyl)benzenecarboxylate is 366.09 g/mol.
Where can I buy 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 4-(trifluoromethyl)benzenecarboxylate?
You can request a quote for 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 4-(trifluoromethyl)benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 4-(trifluoromethyl)benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 4-(trifluoromethyl)benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.