![2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2,6-difluorobenzenecarboxylate structure](/static/products/866/866144-68-5.png)
2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2,6-difluorobenzenecarboxylate
TL;DR: 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2,6-difluorobenzenecarboxylate (CAS 866144-68-5) is a chemical compound with molecular formula C15H12F2N4O3 and molecular weight 334.09 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 2,6-difluorobenzoate
Also Known As: 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2,6-difluorobenzenecarboxylate, 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2,6-difluorobenzoate, 2-{5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethyl 2,6-difluorobenzoate, 2-{5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethyl2,6-difluorobenzoate, 2-(4-methyl-2-oxo-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,5,7-trien-3-yl)ethyl 2,6-difluorobenzoate
| Molecular Formula | C15H12F2N4O3 |
|---|---|
| Molecular Weight | 334.09 g/mol |
| LogP | 1.40372 |
| Topological Polar Surface Area | 89.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.08774 |
| Heavy Atoms | 24 |
| Complexity | 960.2499 |
Chemical Identifiers
| CAS Number | 866144-68-5 |
|---|---|
| SMILES | CC1=C(C(=O)N2C(=N1)N=CN2)CCOC(=O)C3=C(C=CC=C3F)F |
Product Overview
2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2,6-difluorobenzenecarboxylate (CAS 866144-68-5), with molecular formula C15H12F2N4O3 and molecular weight 334.09 g/mol. IUPAC: 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2,6-difluorobenzoate.
Chemical Property Profile of 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2,6-difluorobenzenecarboxylate
Property Insights of 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2,6-difluorobenzenecarboxylate
The XLogP value of 1.40372 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 2,6-difluorobenzenecarboxylate. 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 2,6-difluorobenzenecarboxylate. 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 2,6-difluorobenzenecarboxylate 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 2,6-difluorobenzenecarboxylate?
The CAS number of 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2,6-difluorobenzenecarboxylate is 866144-68-5.
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 2,6-difluorobenzenecarboxylate?
The molecular formula of 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2,6-difluorobenzenecarboxylate is C15H12F2N4O3.
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 2,6-difluorobenzenecarboxylate?
The molecular weight of 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 2,6-difluorobenzenecarboxylate is 334.09 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 2,6-difluorobenzenecarboxylate?
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 2,6-difluorobenzenecarboxylate 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 2,6-difluorobenzenecarboxylate?
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 2,6-difluorobenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.