AO-022/43453469
TL;DR: AO-022/43453469 (CAS 846064-90-2) is a chemical compound with molecular formula C27H27N5O4 and molecular weight 485.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-cyano-7-(3-ethoxypropyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]-4-ethoxybenzamide
Also Known As: AO-022/43453469, N-[3-cyano-1-(3-ethoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-2-ylidene]-4-ethoxybenzamide, N-[5-Cyano-7-(3-ethoxypropyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]-4-ethoxybenzamide, (E)-N-(3-cyano-1-(3-ethoxypropyl)-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-4-ethoxybenzamide, N-[(2E)-3-cyano-1-(3-ethoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-4-ethoxybenzamide
| Molecular Formula | C27H27N5O4 |
|---|---|
| Molecular Weight | 485.21 g/mol |
| LogP | 3.3957 |
| Topological Polar Surface Area | 110.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.2063 |
| Heavy Atoms | 36 |
| Complexity | 1594.0872 |
Chemical Identifiers
| CAS Number | 846064-90-2 |
|---|---|
| SMILES | CCOCCCN1C2=C(C=C(C1=NC(=O)C3=CC=C(C=C3)OCC)C#N)C(=O)N4C=CC=C(C4=N2)C |
Product Overview
AO-022/43453469 (CAS 846064-90-2), with molecular formula C27H27N5O4 and molecular weight 485.21 g/mol. IUPAC: N-[5-cyano-7-(3-ethoxypropyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]-4-ethoxybenzamide.
Chemical Property Profile of AO-022/43453469
Property Insights of AO-022/43453469
The XLogP value of 3.3957 indicates that AO-022/43453469 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.98 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43453469. Following Lipinski's Rule of Five, AO-022/43453469 has 0 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-022/43453469?
The CAS number of AO-022/43453469 is 846064-90-2.
What is the molecular formula of AO-022/43453469?
The molecular formula of AO-022/43453469 is C27H27N5O4.
What is the molecular weight of AO-022/43453469?
The molecular weight of AO-022/43453469 is 485.21 g/mol.
Where can I buy AO-022/43453469?
You can request a quote for AO-022/43453469 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453469?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453469 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.