AO-022/43455088
TL;DR: AO-022/43455088 (CAS 845650-85-3) is a chemical compound with molecular formula C26H25N5O3 and molecular weight 455.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-cyano-11-methyl-7-(2-methylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]-2-ethoxybenzamide
Also Known As: AO-022/43455088, (E)-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)-2-ethoxybenzamide, N-[5-Cyano-11-methyl-7-(2-methylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]-2-ethoxybenzamide, N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-2-ylidene)-2-ethoxybenzamide, N-[(2E)-3-cyano-10-methyl-1-(2-methylpropyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidin-2-ylidene]-2-ethoxybenzamide
| Molecular Formula | C26H25N5O3 |
|---|---|
| Molecular Weight | 455.20 g/mol |
| LogP | 3.6251 |
| Topological Polar Surface Area | 101.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.19574 |
| Heavy Atoms | 34 |
| Complexity | 1588.8921 |
Chemical Identifiers
| CAS Number | 845650-85-3 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C(=O)N=C2C(=CC3=C(N2CC(C)C)N=C4C(=CC=CN4C3=O)C)C#N |
Product Overview
AO-022/43455088 (CAS 845650-85-3), with molecular formula C26H25N5O3 and molecular weight 455.20 g/mol. IUPAC: N-[5-cyano-11-methyl-7-(2-methylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-6-ylidene]-2-ethoxybenzamide.
Chemical Property Profile of AO-022/43455088
Property Insights of AO-022/43455088
The XLogP value of 3.6251 indicates that AO-022/43455088 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.75 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43455088. Following Lipinski's Rule of Five, AO-022/43455088 has 0 hydrogen bond donor(s) and 5 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-022/43455088?
The CAS number of AO-022/43455088 is 845650-85-3.
What is the molecular formula of AO-022/43455088?
The molecular formula of AO-022/43455088 is C26H25N5O3.
What is the molecular weight of AO-022/43455088?
The molecular weight of AO-022/43455088 is 455.20 g/mol.
Where can I buy AO-022/43455088?
You can request a quote for AO-022/43455088 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43455088?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43455088 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.