AI-293/32893034
TL;DR: AI-293/32893034 (CAS 444902-79-8) is a chemical compound with molecular formula C21H18N4O3 and molecular weight 374.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(4-methylphenyl)-5-oxo-7-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate
Also Known As: AI-293/32893034, ethyl 1-(4-methylphenyl)-5-oxo-7-phenyl-1,5-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate, ethyl 1-(4-methylphenyl)-5-oxo-7-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate
| Molecular Formula | C21H18N4O3 |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | 3.03232 |
| Topological Polar Surface Area | 78.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 374.13788 |
| Heavy Atoms | 28 |
| Complexity | 1208.3685 |
Chemical Identifiers
| CAS Number | 444902-79-8 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C2=NC(=CC(=O)N12)C3=CC=CC=C3)C4=CC=C(C=C4)C |
Product Overview
AI-293/32893034 (CAS 444902-79-8), with molecular formula C21H18N4O3 and molecular weight 374.14 g/mol. IUPAC: ethyl 1-(4-methylphenyl)-5-oxo-7-phenyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxylate.
Chemical Property Profile of AI-293/32893034
Property Insights of AI-293/32893034
The XLogP value of 3.03232 indicates that AI-293/32893034 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.49 Ų falls within the moderate polarity range, balancing permeability and solubility for AI-293/32893034. Following Lipinski's Rule of Five, AI-293/32893034 has 0 hydrogen bond donor(s) and 5 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 AI-293/32893034?
The CAS number of AI-293/32893034 is 444902-79-8.
What is the molecular formula of AI-293/32893034?
The molecular formula of AI-293/32893034 is C21H18N4O3.
What is the molecular weight of AI-293/32893034?
The molecular weight of AI-293/32893034 is 374.14 g/mol.
Where can I buy AI-293/32893034?
You can request a quote for AI-293/32893034 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI-293/32893034?
Yes, KEHONG BIO provides custom synthesis services for AI-293/32893034 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.