AO-022/43453408
TL;DR: AO-022/43453408 (CAS 845652-95-1) is a chemical compound with molecular formula C19H26N4OS3 and molecular weight 422.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(11-methyl-5-methylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
Also Known As: AO-022/43453408, 2-((7-methyl-2-(methylthio)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)thio)-1-(4-methylpiperidin-1-yl)ethanone, 2-{[7-methyl-2-(methylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]sulfanyl}-1-(4-methylpiperidin-1-yl)ethanone, 7-methyl-4-{[2-(4-methyl-1-piperidinyl)-2-oxoethyl]sulfanyl}-2-(methylsulfanyl)-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C19H26N4OS3 |
|---|---|
| Molecular Weight | 422.13 g/mol |
| LogP | 3.7517 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.12686 |
| Heavy Atoms | 27 |
| Complexity | 845.0826 |
Chemical Identifiers
| CAS Number | 845652-95-1 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)CSC2=NC(=NC3=C2C4=C(S3)CN(CC4)C)SC |
Product Overview
AO-022/43453408 (CAS 845652-95-1), with molecular formula C19H26N4OS3 and molecular weight 422.13 g/mol. IUPAC: 2-[(11-methyl-5-methylsulfanyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraen-3-yl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone.
Chemical Property Profile of AO-022/43453408
Property Insights of AO-022/43453408
The XLogP value of 3.7517 indicates that AO-022/43453408 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.33 Ų, AO-022/43453408 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-022/43453408 has 0 hydrogen bond donor(s) and 7 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-022/43453408?
The CAS number of AO-022/43453408 is 845652-95-1.
What is the molecular formula of AO-022/43453408?
The molecular formula of AO-022/43453408 is C19H26N4OS3.
What is the molecular weight of AO-022/43453408?
The molecular weight of AO-022/43453408 is 422.13 g/mol.
Where can I buy AO-022/43453408?
You can request a quote for AO-022/43453408 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453408?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453408 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.