AO-022/43453206
TL;DR: AO-022/43453206 (CAS 903590-81-8) is a chemical compound with molecular formula C18H25N3O2S3 and molecular weight 411.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11,11-dimethyl-4-methylsulfanyl-6-(2-morpholin-4-ylethylsulfanyl)-12-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Also Known As: AO-022/43453206, 11,11-Dimethyl-4-methylsulfanyl-6-(2-morpholin-4-ylethylsulfanyl)-12-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene, 7,7-dimethyl-2-(methylsulfanyl)-4-{[2-(4-morpholinyl)ethyl]sulfanyl}-6,9-dihydro-7H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidine, 7,7-dimethyl-2-methylsulfanyl-4-(2-morpholin-4-ylethylsulfanyl)-6,9-dihydropyrano[2,3]thieno[2,4-b]pyrimidine, 7,7-dimethyl-2-(methylsulfanyl)-4-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6,9-dihydro-7H-pyrano[3',4':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C18H25N3O2S3 |
|---|---|
| Molecular Weight | 411.11 g/mol |
| LogP | 3.6888 |
| Topological Polar Surface Area | 47.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.1109 |
| Heavy Atoms | 26 |
| Complexity | 787.5696 |
Chemical Identifiers
| CAS Number | 903590-81-8 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C3=C(S2)C(=NC(=N3)SC)SCCN4CCOCC4)C |
Product Overview
AO-022/43453206 (CAS 903590-81-8), with molecular formula C18H25N3O2S3 and molecular weight 411.11 g/mol. IUPAC: 11,11-dimethyl-4-methylsulfanyl-6-(2-morpholin-4-ylethylsulfanyl)-12-oxa-8-thia-3,5-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.
Chemical Property Profile of AO-022/43453206
Property Insights of AO-022/43453206
The XLogP value of 3.6888 indicates that AO-022/43453206 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.48 Ų, AO-022/43453206 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-022/43453206 has 0 hydrogen bond donor(s) and 8 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-022/43453206?
The CAS number of AO-022/43453206 is 903590-81-8.
What is the molecular formula of AO-022/43453206?
The molecular formula of AO-022/43453206 is C18H25N3O2S3.
What is the molecular weight of AO-022/43453206?
The molecular weight of AO-022/43453206 is 411.11 g/mol.
Where can I buy AO-022/43453206?
You can request a quote for AO-022/43453206 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453206?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453206 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.