AO-022/42188475
TL;DR: AO-022/42188475 (CAS 727367-81-9) is a chemical compound with molecular formula C22H20N4O4 and molecular weight 404.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-(4-methoxycarbonylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Also Known As: AO-022/42188475, ethyl 7-[4-(methoxycarbonyl)phenyl]-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate, ethyl 7-(4-(methoxycarbonyl)phenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate, ethyl 7-(4-methoxycarbonylphenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
| Molecular Formula | C22H20N4O4 |
|---|---|
| Molecular Weight | 404.15 g/mol |
| LogP | 3.054 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.14847 |
| Heavy Atoms | 30 |
| Complexity | 1103.6809 |
Chemical Identifiers
| CAS Number | 727367-81-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=NC=NN2C1C3=CC=C(C=C3)C(=O)OC)C4=CC=CC=C4 |
Product Overview
AO-022/42188475 (CAS 727367-81-9), with molecular formula C22H20N4O4 and molecular weight 404.15 g/mol. IUPAC: ethyl 7-(4-methoxycarbonylphenyl)-5-phenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.
Chemical Property Profile of AO-022/42188475
Property Insights of AO-022/42188475
The XLogP value of 3.054 indicates that AO-022/42188475 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.34 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42188475. Following Lipinski's Rule of Five, AO-022/42188475 has 1 hydrogen bond donor(s) and 7 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 AO-022/42188475?
The CAS number of AO-022/42188475 is 727367-81-9.
What is the molecular formula of AO-022/42188475?
The molecular formula of AO-022/42188475 is C22H20N4O4.
What is the molecular weight of AO-022/42188475?
The molecular weight of AO-022/42188475 is 404.15 g/mol.
Where can I buy AO-022/42188475?
You can request a quote for AO-022/42188475 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42188475?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42188475 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.