ethyl 5-propyl-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
TL;DR: ethyl 5-propyl-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CAS 727406-55-5) is a chemical compound with molecular formula C20H26N4O5 and molecular weight 402.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-propyl-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Also Known As: ethyl 5-propyl-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate, ethyl 5-propyl-7-(2,3,4-trimethoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate, ethyl 5-propyl-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate, ETHYL 5-PROPYL-7-(2,3,4-TRIMETHOXYPHENYL)-4H,7H-[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE
| Molecular Formula | C20H26N4O5 |
|---|---|
| Molecular Weight | 402.19 g/mol |
| LogP | 2.9361 |
| Topological Polar Surface Area | 96.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 402.1903 |
| Heavy Atoms | 29 |
| Complexity | 921.5905 |
Chemical Identifiers
| CAS Number | 727406-55-5 |
|---|---|
| SMILES | CCCC1=C(C(N2C(=NC=N2)N1)C3=C(C(=C(C=C3)OC)OC)OC)C(=O)OCC |
Product Overview
ethyl 5-propyl-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CAS 727406-55-5), with molecular formula C20H26N4O5 and molecular weight 402.19 g/mol. IUPAC: ethyl 5-propyl-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ethyl 5-propyl-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Property Insights of ethyl 5-propyl-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
The XLogP value of 2.9361 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-propyl-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate. The TPSA of 96.73 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-propyl-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, ethyl 5-propyl-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate 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 ethyl 5-propyl-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The CAS number of ethyl 5-propyl-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is 727406-55-5.
What is the molecular formula of ethyl 5-propyl-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The molecular formula of ethyl 5-propyl-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is C20H26N4O5.
What is the molecular weight of ethyl 5-propyl-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The molecular weight of ethyl 5-propyl-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is 402.19 g/mol.
Where can I buy ethyl 5-propyl-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
You can request a quote for ethyl 5-propyl-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-propyl-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-propyl-7-(2,3,4-trimethoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.