AO-022/43453345
TL;DR: AO-022/43453345 (CAS 896842-20-9) is a chemical compound with molecular formula C20H15ClN6 and molecular weight 374.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-(3-chlorophenyl)-4-(4-ethylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: AO-022/43453345, 7-(3-chlorophenyl)-2-(4-ethylphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
| Molecular Formula | C20H15ClN6 |
|---|---|
| Molecular Weight | 374.10 g/mol |
| LogP | 4.346 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.10468 |
| Heavy Atoms | 27 |
| Complexity | 1269.1255 |
Chemical Identifiers
| CAS Number | 896842-20-9 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2=NN3C=NC4=C(C3=N2)C=NN4C5=CC(=CC=C5)Cl |
Product Overview
AO-022/43453345 (CAS 896842-20-9), with molecular formula C20H15ClN6 and molecular weight 374.10 g/mol. IUPAC: 10-(3-chlorophenyl)-4-(4-ethylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
Chemical Property Profile of AO-022/43453345
Property Insights of AO-022/43453345
The XLogP value of 4.346 indicates that AO-022/43453345 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43453345. Following Lipinski's Rule of Five, AO-022/43453345 has 0 hydrogen bond donor(s) and 4 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-022/43453345?
The CAS number of AO-022/43453345 is 896842-20-9.
What is the molecular formula of AO-022/43453345?
The molecular formula of AO-022/43453345 is C20H15ClN6.
What is the molecular weight of AO-022/43453345?
The molecular weight of AO-022/43453345 is 374.10 g/mol.
Where can I buy AO-022/43453345?
You can request a quote for AO-022/43453345 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453345?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453345 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.