AO-022/43452909
TL;DR: AO-022/43452909 (CAS 840518-65-2) is a chemical compound with molecular formula C24H20BrN5O2 and molecular weight 489.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-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]benzamide
Also Known As: AO-022/43452909, (E)-2-bromo-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-2(5H)-ylidene)benzamide, 2-bromo-N-(3-cyano-1-isobutyl-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-2-ylidene)benzamide, 2-bromo-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]benzamide
| Molecular Formula | C24H20BrN5O2 |
|---|---|
| Molecular Weight | 489.08 g/mol |
| LogP | 3.9889 |
| Topological Polar Surface Area | 92.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 489.08005 |
| Heavy Atoms | 32 |
| Complexity | 1557.4835 |
Chemical Identifiers
| CAS Number | 840518-65-2 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=NC(=O)C4=CC=CC=C4Br)N3CC(C)C)C#N |
Product Overview
AO-022/43452909 (CAS 840518-65-2), with molecular formula C24H20BrN5O2 and molecular weight 489.08 g/mol. IUPAC: 2-bromo-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]benzamide.
Chemical Property Profile of AO-022/43452909
Property Insights of AO-022/43452909
The XLogP value of 3.9889 indicates that AO-022/43452909 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.52 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43452909. Following Lipinski's Rule of Five, AO-022/43452909 has 0 hydrogen bond donor(s) and 4 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-022/43452909?
The CAS number of AO-022/43452909 is 840518-65-2.
What is the molecular formula of AO-022/43452909?
The molecular formula of AO-022/43452909 is C24H20BrN5O2.
What is the molecular weight of AO-022/43452909?
The molecular weight of AO-022/43452909 is 489.08 g/mol.
Where can I buy AO-022/43452909?
You can request a quote for AO-022/43452909 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43452909?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43452909 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.