AO-567/40862439
TL;DR: AO-567/40862439 (CAS 440091-49-6) is a chemical compound with molecular formula C21H20N4OS2 and molecular weight 408.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methyl-7-phenyl-3-prop-2-enylsulfanyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: AO-567/40862439, 1-(allylsulfanyl)-6-methyl-4-phenyl-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 6-methyl-4-phenyl-1-(prop-2-en-1-ylsulfanyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 1-(allylthio)-6-methyl-4-phenyl-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 11-methyl-7-phenyl-3-prop-2-enylsulfanyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
| Molecular Formula | C21H20N4OS2 |
|---|---|
| Molecular Weight | 408.11 g/mol |
| LogP | 4.8128 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.10785 |
| Heavy Atoms | 28 |
| Complexity | 1252.6178 |
Chemical Identifiers
| CAS Number | 440091-49-6 |
|---|---|
| SMILES | CC1CCCC2=C1C3=C(S2)N4C(=NN=C4SCC=C)N(C3=O)C5=CC=CC=C5 |
Product Overview
AO-567/40862439 (CAS 440091-49-6), with molecular formula C21H20N4OS2 and molecular weight 408.11 g/mol. IUPAC: 11-methyl-7-phenyl-3-prop-2-enylsulfanyl-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.
Chemical Property Profile of AO-567/40862439
Property Insights of AO-567/40862439
The XLogP value of 4.8128 indicates that AO-567/40862439 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.19 Ų, AO-567/40862439 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-567/40862439 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 AO-567/40862439?
The CAS number of AO-567/40862439 is 440091-49-6.
What is the molecular formula of AO-567/40862439?
The molecular formula of AO-567/40862439 is C21H20N4OS2.
What is the molecular weight of AO-567/40862439?
The molecular weight of AO-567/40862439 is 408.11 g/mol.
Where can I buy AO-567/40862439?
You can request a quote for AO-567/40862439 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-567/40862439?
Yes, KEHONG BIO provides custom synthesis services for AO-567/40862439 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.