AO-022/43454843
TL;DR: AO-022/43454843 (CAS 879574-81-9) is a chemical compound with molecular formula C18H17N5S and molecular weight 335.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(13-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)aniline
Also Known As: AO-022/43454843, 2-(9-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline, 2-(13-Methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)aniline, 2-(9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)phenylamine, 2-(9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)aniline
| Molecular Formula | C18H17N5S |
|---|---|
| Molecular Weight | 335.12 g/mol |
| LogP | 3.713 |
| Topological Polar Surface Area | 69.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 335.12045 |
| Heavy Atoms | 24 |
| Complexity | 1077.8407 |
Chemical Identifiers
| CAS Number | 879574-81-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C4=NC(=NN4C=N3)C5=CC=CC=C5N |
Product Overview
AO-022/43454843 (CAS 879574-81-9), with molecular formula C18H17N5S and molecular weight 335.12 g/mol. IUPAC: 2-(13-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-4-yl)aniline.
Chemical Property Profile of AO-022/43454843
Property Insights of AO-022/43454843
The XLogP value of 3.713 indicates that AO-022/43454843 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43454843. Following Lipinski's Rule of Five, AO-022/43454843 has 1 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-022/43454843?
The CAS number of AO-022/43454843 is 879574-81-9.
What is the molecular formula of AO-022/43454843?
The molecular formula of AO-022/43454843 is C18H17N5S.
What is the molecular weight of AO-022/43454843?
The molecular weight of AO-022/43454843 is 335.12 g/mol.
Where can I buy AO-022/43454843?
You can request a quote for AO-022/43454843 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43454843?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43454843 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.