AO-022/43452847
TL;DR: AO-022/43452847 (CAS 861635-01-0) is a chemical compound with molecular formula C12H12N4S2 and molecular weight 276.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,3,8,11(16)-tetraene-7-thione
Also Known As: AO-022/43452847, 10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl hydrosulfide, 14-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,3,8,11(16)-tetraene-7-thione, 10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-5-thiol, 10-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-5-thiol
| Molecular Formula | C12H12N4S2 |
|---|---|
| Molecular Weight | 276.05 g/mol |
| LogP | 3.12639 |
| Topological Polar Surface Area | 45.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 276.05035 |
| Heavy Atoms | 18 |
| Complexity | 810.5552 |
Chemical Identifiers
| CAS Number | 861635-01-0 |
|---|---|
| SMILES | CC1CCC2=C(C1)C3=C4N=CNN4C(=S)N=C3S2 |
Product Overview
AO-022/43452847 (CAS 861635-01-0), with molecular formula C12H12N4S2 and molecular weight 276.05 g/mol. IUPAC: 14-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,3,8,11(16)-tetraene-7-thione.
Chemical Property Profile of AO-022/43452847
Property Insights of AO-022/43452847
The XLogP value of 3.12639 indicates that AO-022/43452847 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.98 Ų, AO-022/43452847 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-022/43452847 has 1 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-022/43452847?
The CAS number of AO-022/43452847 is 861635-01-0.
What is the molecular formula of AO-022/43452847?
The molecular formula of AO-022/43452847 is C12H12N4S2.
What is the molecular weight of AO-022/43452847?
The molecular weight of AO-022/43452847 is 276.05 g/mol.
Where can I buy AO-022/43452847?
You can request a quote for AO-022/43452847 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43452847?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43452847 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.