AO-022/43454701
TL;DR: AO-022/43454701 (CAS 861122-19-2) is a chemical compound with molecular formula C16H21N5OS and molecular weight 331.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[ethyl-(14-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-yl)amino]ethanol
Also Known As: AO-022/43454701, 2-[ethyl(10-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)amino]ethanol, 2-(ethyl(10-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)amino)ethanol, 2-[ethyl-(14-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-yl)amino]ethanol
| Molecular Formula | C16H21N5OS |
|---|---|
| Molecular Weight | 331.15 g/mol |
| LogP | 2.2824 |
| Topological Polar Surface Area | 66.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.14667 |
| Heavy Atoms | 23 |
| Complexity | 855.01154 |
Chemical Identifiers
| CAS Number | 861122-19-2 |
|---|---|
| SMILES | CCN(CCO)C1=NC2=C(C3=C(S2)CCC(C3)C)C4=NC=NN41 |
Product Overview
AO-022/43454701 (CAS 861122-19-2), with molecular formula C16H21N5OS and molecular weight 331.15 g/mol. IUPAC: 2-[ethyl-(14-methyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-7-yl)amino]ethanol.
Chemical Property Profile of AO-022/43454701
Property Insights of AO-022/43454701
The XLogP value of 2.2824 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/43454701. The TPSA of 66.55 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43454701. Following Lipinski's Rule of Five, AO-022/43454701 has 1 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-022/43454701?
The CAS number of AO-022/43454701 is 861122-19-2.
What is the molecular formula of AO-022/43454701?
The molecular formula of AO-022/43454701 is C16H21N5OS.
What is the molecular weight of AO-022/43454701?
The molecular weight of AO-022/43454701 is 331.15 g/mol.
Where can I buy AO-022/43454701?
You can request a quote for AO-022/43454701 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43454701?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43454701 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.