![2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 3,4,5-trimethoxybenzenecarboxylate structure](/static/products/860/860611-14-9.png)
2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 3,4,5-trimethoxybenzenecarboxylate
TL;DR: 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 3,4,5-trimethoxybenzenecarboxylate (CAS 860611-14-9) is a chemical compound with molecular formula C18H20N4O6 and molecular weight 388.14 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 3,4,5-trimethoxybenzoate
Also Known As: 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 3,4,5-trimethoxybenzenecarboxylate, 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 3,4,5-trimethoxybenzoate, 2-{5-methyl-7-oxo-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethyl 3,4,5-trimethoxybenzoate, 2-(5-Methyl-7-oxo-4,7-dihydro1,2,4triazolo1,5-apyrimidin-6-yl)ethyl 3,4,5-trimethoxybenzenecarboxylate, 2-{5-methyl-7-oxo-3H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}ethyl 3,4,5-trimethoxybenzoate
| Molecular Formula | C18H20N4O6 |
|---|---|
| Molecular Weight | 388.14 g/mol |
| LogP | 1.15132 |
| Topological Polar Surface Area | 117.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.13828 |
| Heavy Atoms | 28 |
| Complexity | 1046.6084 |
Chemical Identifiers
| CAS Number | 860611-14-9 |
|---|---|
| SMILES | CC1=C(C(=O)N2C(=N1)N=CN2)CCOC(=O)C3=CC(=C(C(=C3)OC)OC)OC |
Product Overview
2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 3,4,5-trimethoxybenzenecarboxylate (CAS 860611-14-9), with molecular formula C18H20N4O6 and molecular weight 388.14 g/mol. IUPAC: 2-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 3,4,5-trimethoxybenzenecarboxylate
Property Insights of 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 3,4,5-trimethoxybenzenecarboxylate
The XLogP value of 1.15132 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 3,4,5-trimethoxybenzenecarboxylate. The TPSA of 117.04 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 3,4,5-trimethoxybenzenecarboxylate. 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 3,4,5-trimethoxybenzenecarboxylate has 1 hydrogen bond donor(s) and 8 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 3,4,5-trimethoxybenzenecarboxylate?
The CAS number of 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 3,4,5-trimethoxybenzenecarboxylate is 860611-14-9.
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 3,4,5-trimethoxybenzenecarboxylate?
The molecular formula of 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 3,4,5-trimethoxybenzenecarboxylate is C18H20N4O6.
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 3,4,5-trimethoxybenzenecarboxylate?
The molecular weight of 2-(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethyl 3,4,5-trimethoxybenzenecarboxylate is 388.14 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 3,4,5-trimethoxybenzenecarboxylate?
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 3,4,5-trimethoxybenzenecarboxylate 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 3,4,5-trimethoxybenzenecarboxylate?
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 3,4,5-trimethoxybenzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.