AO-022/43452731
TL;DR: AO-022/43452731 (CAS 848727-06-0) is a chemical compound with molecular formula C26H26N4O4 and molecular weight 458.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-benzoylimino-11-methyl-7-(2-methylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: AO-022/43452731, (Z)-ethyl 2-(benzoylimino)-1-isobutyl-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl (2Z)-10-methyl-1-(2-methylpropyl)-5-oxo-2-[(phenylcarbonyl)imino]-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl 2-(benzoylimino)-1-isobutyl-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate
| Molecular Formula | C26H26N4O4 |
|---|---|
| Molecular Weight | 458.20 g/mol |
| LogP | 3.53142 |
| Topological Polar Surface Area | 95.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.1954 |
| Heavy Atoms | 34 |
| Complexity | 1532.2646 |
Chemical Identifiers
| CAS Number | 848727-06-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=NC(=O)C4=CC=CC=C4)CC(C)C |
Product Overview
AO-022/43452731 (CAS 848727-06-0), with molecular formula C26H26N4O4 and molecular weight 458.20 g/mol. IUPAC: ethyl 6-benzoylimino-11-methyl-7-(2-methylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
Chemical Property Profile of AO-022/43452731
Property Insights of AO-022/43452731
The XLogP value of 3.53142 indicates that AO-022/43452731 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.03 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43452731. Following Lipinski's Rule of Five, AO-022/43452731 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-022/43452731?
The CAS number of AO-022/43452731 is 848727-06-0.
What is the molecular formula of AO-022/43452731?
The molecular formula of AO-022/43452731 is C26H26N4O4.
What is the molecular weight of AO-022/43452731?
The molecular weight of AO-022/43452731 is 458.20 g/mol.
Where can I buy AO-022/43452731?
You can request a quote for AO-022/43452731 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43452731?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43452731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.