AO-022/43454897
TL;DR: AO-022/43454897 (CAS 844656-41-3) is a chemical compound with molecular formula C25H25N5O4 and molecular weight 459.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-butyl-11-methyl-2-oxo-6-(pyridine-3-carbonylimino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: AO-022/43454897, ethyl 1-butyl-10-methyl-5-oxo-2-[(3-pyridinylcarbonyl)imino]-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate, Ethyl 7-butyl-11-methyl-2-oxo-6-(pyridine-3-carbonylimino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate, (Z)-ethyl 1-butyl-10-methyl-2-(nicotinoylimino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl (2Z)-1-butyl-10-methyl-5-oxo-2-[(pyridin-3-ylcarbonyl)imino]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
| Molecular Formula | C25H25N5O4 |
|---|---|
| Molecular Weight | 459.19 g/mol |
| LogP | 3.07052 |
| Topological Polar Surface Area | 107.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.19064 |
| Heavy Atoms | 34 |
| Complexity | 1520.15 |
Chemical Identifiers
| CAS Number | 844656-41-3 |
|---|---|
| SMILES | CCCCN1C2=C(C=C(C1=NC(=O)C3=CN=CC=C3)C(=O)OCC)C(=O)N4C=CC=C(C4=N2)C |
Product Overview
AO-022/43454897 (CAS 844656-41-3), with molecular formula C25H25N5O4 and molecular weight 459.19 g/mol. IUPAC: ethyl 7-butyl-11-methyl-2-oxo-6-(pyridine-3-carbonylimino)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
Chemical Property Profile of AO-022/43454897
Property Insights of AO-022/43454897
The XLogP value of 3.07052 indicates that AO-022/43454897 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.92 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43454897. Following Lipinski's Rule of Five, AO-022/43454897 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-022/43454897?
The CAS number of AO-022/43454897 is 844656-41-3.
What is the molecular formula of AO-022/43454897?
The molecular formula of AO-022/43454897 is C25H25N5O4.
What is the molecular weight of AO-022/43454897?
The molecular weight of AO-022/43454897 is 459.19 g/mol.
Where can I buy AO-022/43454897?
You can request a quote for AO-022/43454897 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43454897?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43454897 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.