AO-022/43453368
TL;DR: AO-022/43453368 (CAS 844829-66-9) is a chemical compound with molecular formula C18H21N3OS2 and molecular weight 359.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(7-butyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)sulfanyl]ethanol
Also Known As: AO-022/43453368, 2-[(4-butyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)sulfanyl]ethanol, 2-((4-butyl-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-7-yl)thio)ethanol
| Molecular Formula | C18H21N3OS2 |
|---|---|
| Molecular Weight | 359.11 g/mol |
| LogP | 4.1552 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.1126 |
| Heavy Atoms | 24 |
| Complexity | 890.973 |
Chemical Identifiers
| CAS Number | 844829-66-9 |
|---|---|
| SMILES | CCCCC1=NC2=C(C3=C1CCC3)C4=C(S2)C(=NC=N4)SCCO |
Product Overview
AO-022/43453368 (CAS 844829-66-9), with molecular formula C18H21N3OS2 and molecular weight 359.11 g/mol. IUPAC: 2-[(7-butyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaen-12-yl)sulfanyl]ethanol.
Chemical Property Profile of AO-022/43453368
Property Insights of AO-022/43453368
The XLogP value of 4.1552 indicates that AO-022/43453368 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, AO-022/43453368 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-022/43453368 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-022/43453368?
The CAS number of AO-022/43453368 is 844829-66-9.
What is the molecular formula of AO-022/43453368?
The molecular formula of AO-022/43453368 is C18H21N3OS2.
What is the molecular weight of AO-022/43453368?
The molecular weight of AO-022/43453368 is 359.11 g/mol.
Where can I buy AO-022/43453368?
You can request a quote for AO-022/43453368 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453368?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453368 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.