AO-022/43453171
TL;DR: AO-022/43453171 (CAS 896804-79-8) is a chemical compound with molecular formula C25H32N4O3S and molecular weight 468.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)-5-(3-morpholin-4-ylpropylamino)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Also Known As: AO-022/43453171, 3-(4-methoxyphenyl)-2-{[3-(4-morpholinyl)propyl]amino}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one, 4-(4-Methoxyphenyl)-5-(3-morpholin-4-ylpropylamino)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one, 3-(4-methoxyphenyl)-2-((3-morpholinopropyl)amino)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 3-(4-methoxyphenyl)-2-(3-morpholin-4-ylpropylamino)-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-b]pyrimidin-4-one
| Molecular Formula | C25H32N4O3S |
|---|---|
| Molecular Weight | 468.22 g/mol |
| LogP | 3.8589 |
| Topological Polar Surface Area | 68.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 468.2195 |
| Heavy Atoms | 33 |
| Complexity | 1149.1538 |
Chemical Identifiers
| CAS Number | 896804-79-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2NCCCN4CCOCC4)SC5=C3CCCCC5 |
Product Overview
AO-022/43453171 (CAS 896804-79-8), with molecular formula C25H32N4O3S and molecular weight 468.22 g/mol. IUPAC: 4-(4-methoxyphenyl)-5-(3-morpholin-4-ylpropylamino)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of AO-022/43453171
Property Insights of AO-022/43453171
The XLogP value of 3.8589 indicates that AO-022/43453171 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.62 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43453171. Following Lipinski's Rule of Five, AO-022/43453171 has 1 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-022/43453171?
The CAS number of AO-022/43453171 is 896804-79-8.
What is the molecular formula of AO-022/43453171?
The molecular formula of AO-022/43453171 is C25H32N4O3S.
What is the molecular weight of AO-022/43453171?
The molecular weight of AO-022/43453171 is 468.22 g/mol.
Where can I buy AO-022/43453171?
You can request a quote for AO-022/43453171 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453171?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453171 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.