AO-022/43453389
TL;DR: AO-022/43453389 (CAS 899408-41-4) is a chemical compound with molecular formula C16H19N5OS and molecular weight 329.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide
Also Known As: AO-022/43453389, N-butyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide, N-butyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide, N-butyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide
| Molecular Formula | C16H19N5OS |
|---|---|
| Molecular Weight | 329.13 g/mol |
| LogP | 2.7477 |
| Topological Polar Surface Area | 72.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.13104 |
| Heavy Atoms | 23 |
| Complexity | 881.4818 |
Chemical Identifiers
| CAS Number | 899408-41-4 |
|---|---|
| SMILES | CCCCNC(=O)C1=NN2C=NC3=C(C2=N1)C4=C(S3)CCCC4 |
Product Overview
AO-022/43453389 (CAS 899408-41-4), with molecular formula C16H19N5OS and molecular weight 329.13 g/mol. IUPAC: N-butyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene-4-carboxamide.
Chemical Property Profile of AO-022/43453389
Property Insights of AO-022/43453389
The XLogP value of 2.7477 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/43453389. The TPSA of 72.18 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43453389. Following Lipinski's Rule of Five, AO-022/43453389 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-022/43453389?
The CAS number of AO-022/43453389 is 899408-41-4.
What is the molecular formula of AO-022/43453389?
The molecular formula of AO-022/43453389 is C16H19N5OS.
What is the molecular weight of AO-022/43453389?
The molecular weight of AO-022/43453389 is 329.13 g/mol.
Where can I buy AO-022/43453389?
You can request a quote for AO-022/43453389 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453389?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453389 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.