![3-ethyl 6-methyl 7-methyl-1-phenyl-5-(2-thienyl)-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylate structure](/static/products/791/791824-69-6.png)
3-ethyl 6-methyl 7-methyl-1-phenyl-5-(2-thienyl)-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylate
TL;DR: 3-ethyl 6-methyl 7-methyl-1-phenyl-5-(2-thienyl)-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylate (CAS 791824-69-6) is a chemical compound with molecular formula C21H20N4O4S and molecular weight 424.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-ethyl 6-O-methyl 7-methyl-1-phenyl-5-thiophen-2-yl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylate
Also Known As: 3-ethyl 6-methyl 7-methyl-1-phenyl-5-(2-thienyl)-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylate, AO-476/43201338, 3-O-ethyl 6-O-methyl 7-methyl-1-phenyl-5-thiophen-2-yl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylate, 7-methyl-1-phenyl-5-(2-thienyl)-5H-[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester, 7-methyl-1-phenyl-5-thiophen-2-yl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylic acid O3-ethyl ester O6-methyl ester
| Molecular Formula | C21H20N4O4S |
|---|---|
| Molecular Weight | 424.12 g/mol |
| LogP | 3.3046 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.1205 |
| Heavy Atoms | 30 |
| Complexity | 1059.9402 |
Chemical Identifiers
| CAS Number | 791824-69-6 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C2=NC(=C(C(N12)C3=CC=CS3)C(=O)OC)C)C4=CC=CC=C4 |
Product Overview
3-ethyl 6-methyl 7-methyl-1-phenyl-5-(2-thienyl)-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylate (CAS 791824-69-6), with molecular formula C21H20N4O4S and molecular weight 424.12 g/mol. IUPAC: 3-O-ethyl 6-O-methyl 7-methyl-1-phenyl-5-thiophen-2-yl-5H-[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylate.
Chemical Property Profile of 3-ethyl 6-methyl 7-methyl-1-phenyl-5-(2-thienyl)-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylate
Property Insights of 3-ethyl 6-methyl 7-methyl-1-phenyl-5-(2-thienyl)-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylate
The XLogP value of 3.3046 indicates that 3-ethyl 6-methyl 7-methyl-1-phenyl-5-(2-thienyl)-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-ethyl 6-methyl 7-methyl-1-phenyl-5-(2-thienyl)-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylate. Following Lipinski's Rule of Five, 3-ethyl 6-methyl 7-methyl-1-phenyl-5-(2-thienyl)-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylate has 0 hydrogen bond donor(s) and 9 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 3-ethyl 6-methyl 7-methyl-1-phenyl-5-(2-thienyl)-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylate?
The CAS number of 3-ethyl 6-methyl 7-methyl-1-phenyl-5-(2-thienyl)-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylate is 791824-69-6.
What is the molecular formula of 3-ethyl 6-methyl 7-methyl-1-phenyl-5-(2-thienyl)-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylate?
The molecular formula of 3-ethyl 6-methyl 7-methyl-1-phenyl-5-(2-thienyl)-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylate is C21H20N4O4S.
What is the molecular weight of 3-ethyl 6-methyl 7-methyl-1-phenyl-5-(2-thienyl)-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylate?
The molecular weight of 3-ethyl 6-methyl 7-methyl-1-phenyl-5-(2-thienyl)-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylate is 424.12 g/mol.
Where can I buy 3-ethyl 6-methyl 7-methyl-1-phenyl-5-(2-thienyl)-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylate?
You can request a quote for 3-ethyl 6-methyl 7-methyl-1-phenyl-5-(2-thienyl)-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-ethyl 6-methyl 7-methyl-1-phenyl-5-(2-thienyl)-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-ethyl 6-methyl 7-methyl-1-phenyl-5-(2-thienyl)-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-3,6-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.