AO-022/42927146
TL;DR: AO-022/42927146 (CAS 861115-22-2) is a chemical compound with molecular formula C14H14N6S2 and molecular weight 330.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,15-dimethyl-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),5,8,10,13(18)-pentaene-3-thione
Also Known As: AO-022/42927146, 2,12-dimethyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]di[1,2,4]triazolo[4,3-a:1,5-c]pyrimidin-7-yl hydrosulfide, 2,12-dimethyl-10,11,12,13-tetrahydrobenzo[4,5]thieno[3,2-e]bis([1,2,4]triazolo)[4,3-a:1',5'-c]pyrimidine-7-thiol, 9,15-Dimethyl-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),5,8,10,13(18)-pentaene-3-thione, 2,12-dimethyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine-7(6H)-thione
| Molecular Formula | C14H14N6S2 |
|---|---|
| Molecular Weight | 330.07 g/mol |
| LogP | 3.08251 |
| Topological Polar Surface Area | 63.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 330.07214 |
| Heavy Atoms | 22 |
| Complexity | 1111.6019 |
Chemical Identifiers
| CAS Number | 861115-22-2 |
|---|---|
| SMILES | CC1CCC2=C(C1)C3=C(S2)N4C(=S)NN=C4N5C3=NC(=N5)C |
Product Overview
AO-022/42927146 (CAS 861115-22-2), with molecular formula C14H14N6S2 and molecular weight 330.07 g/mol. IUPAC: 9,15-dimethyl-19-thia-2,4,5,7,8,10-hexazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),5,8,10,13(18)-pentaene-3-thione.
Chemical Property Profile of AO-022/42927146
Property Insights of AO-022/42927146
The XLogP value of 3.08251 indicates that AO-022/42927146 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.28 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42927146. Following Lipinski's Rule of Five, AO-022/42927146 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-022/42927146?
The CAS number of AO-022/42927146 is 861115-22-2.
What is the molecular formula of AO-022/42927146?
The molecular formula of AO-022/42927146 is C14H14N6S2.
What is the molecular weight of AO-022/42927146?
The molecular weight of AO-022/42927146 is 330.07 g/mol.
Where can I buy AO-022/42927146?
You can request a quote for AO-022/42927146 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42927146?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42927146 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.