AO-022/41488022
TL;DR: AO-022/41488022 (CAS 536981-23-4) is a chemical compound with molecular formula C22H20N4O2S and molecular weight 404.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-9-(4-hydroxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
Also Known As: AO-022/41488022, 2-(benzylsulfanyl)-9-(4-hydroxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, 2-(benzylthio)-9-(4-hydroxyphenyl)-5,6,7,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one, F0576-0069, 2-(benzylsulfanyl)-9-(4-hydroxyphenyl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
| Molecular Formula | C22H20N4O2S |
|---|---|
| Molecular Weight | 404.13 g/mol |
| LogP | 4.298 |
| Topological Polar Surface Area | 80.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.1307 |
| Heavy Atoms | 29 |
| Complexity | 1089.7599 |
Chemical Identifiers
| CAS Number | 536981-23-4 |
|---|---|
| SMILES | C1CC2=C(C(N3C(=NC(=N3)SCC4=CC=CC=C4)N2)C5=CC=C(C=C5)O)C(=O)C1 |
Product Overview
AO-022/41488022 (CAS 536981-23-4), with molecular formula C22H20N4O2S and molecular weight 404.13 g/mol. IUPAC: 2-benzylsulfanyl-9-(4-hydroxyphenyl)-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
Chemical Property Profile of AO-022/41488022
Property Insights of AO-022/41488022
The XLogP value of 4.298 indicates that AO-022/41488022 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.04 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/41488022. Following Lipinski's Rule of Five, AO-022/41488022 has 2 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 AO-022/41488022?
The CAS number of AO-022/41488022 is 536981-23-4.
What is the molecular formula of AO-022/41488022?
The molecular formula of AO-022/41488022 is C22H20N4O2S.
What is the molecular weight of AO-022/41488022?
The molecular weight of AO-022/41488022 is 404.13 g/mol.
Where can I buy AO-022/41488022?
You can request a quote for AO-022/41488022 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/41488022?
Yes, KEHONG BIO provides custom synthesis services for AO-022/41488022 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.