![ethyl 5-phenyl-7-[2-(prop-2-en-1-yloxy)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate structure](/static/products/694/694485-46-6.png)
ethyl 5-phenyl-7-[2-(prop-2-en-1-yloxy)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
TL;DR: ethyl 5-phenyl-7-[2-(prop-2-en-1-yloxy)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CAS 694485-46-6) is a chemical compound with molecular formula C23H22N4O3 and molecular weight 402.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-phenyl-7-(2-prop-2-enoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Also Known As: ethyl 5-phenyl-7-[2-(prop-2-en-1-yloxy)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate, ethyl 5-phenyl-7-(2-prop-2-enoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate, ethyl 7-(2-(allyloxy)phenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate, ethyl 7-[2-(allyloxy)phenyl]-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
| Molecular Formula | C23H22N4O3 |
|---|---|
| Molecular Weight | 402.17 g/mol |
| LogP | 3.8322 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.1692 |
| Heavy Atoms | 30 |
| Complexity | 1088.5924 |
Chemical Identifiers
| CAS Number | 694485-46-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=NC=NN2C1C3=CC=CC=C3OCC=C)C4=CC=CC=C4 |
Product Overview
ethyl 5-phenyl-7-[2-(prop-2-en-1-yloxy)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CAS 694485-46-6), with molecular formula C23H22N4O3 and molecular weight 402.17 g/mol. IUPAC: ethyl 5-phenyl-7-(2-prop-2-enoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.
Chemical Property Profile of ethyl 5-phenyl-7-[2-(prop-2-en-1-yloxy)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Property Insights of ethyl 5-phenyl-7-[2-(prop-2-en-1-yloxy)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
The XLogP value of 3.8322 indicates that ethyl 5-phenyl-7-[2-(prop-2-en-1-yloxy)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-phenyl-7-[2-(prop-2-en-1-yloxy)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate. Following Lipinski's Rule of Five, ethyl 5-phenyl-7-[2-(prop-2-en-1-yloxy)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate has 1 hydrogen bond donor(s) and 6 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-phenyl-7-[2-(prop-2-en-1-yloxy)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The CAS number of ethyl 5-phenyl-7-[2-(prop-2-en-1-yloxy)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is 694485-46-6.
What is the molecular formula of ethyl 5-phenyl-7-[2-(prop-2-en-1-yloxy)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The molecular formula of ethyl 5-phenyl-7-[2-(prop-2-en-1-yloxy)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is C23H22N4O3.
What is the molecular weight of ethyl 5-phenyl-7-[2-(prop-2-en-1-yloxy)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
The molecular weight of ethyl 5-phenyl-7-[2-(prop-2-en-1-yloxy)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is 402.17 g/mol.
Where can I buy ethyl 5-phenyl-7-[2-(prop-2-en-1-yloxy)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
You can request a quote for ethyl 5-phenyl-7-[2-(prop-2-en-1-yloxy)phenyl]-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-phenyl-7-[2-(prop-2-en-1-yloxy)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-phenyl-7-[2-(prop-2-en-1-yloxy)phenyl]-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.