AO-022/43454300
TL;DR: AO-022/43454300 (CAS 848671-72-7) is a chemical compound with molecular formula C26H25FN4O5 and molecular weight 492.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(4-fluorobenzoyl)imino-7-(3-methoxypropyl)-11-methyl-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-022/43454300, ethyl 2-[(4-fluorobenzoyl)imino]-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate, Ethyl 6-(4-fluorobenzoyl)imino-7-(3-methoxypropyl)-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate, (Z)-ethyl 2-((4-fluorobenzoyl)imino)-1-(3-methoxypropyl)-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl (2Z)-2-{[(4-fluorophenyl)carbonyl]imino}-1-(3-methoxypropyl)-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
| Molecular Formula | C26H25FN4O5 |
|---|---|
| Molecular Weight | 492.18 g/mol |
| LogP | 3.05102 |
| Topological Polar Surface Area | 104.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.1809 |
| Heavy Atoms | 36 |
| Complexity | 1589.0503 |
Chemical Identifiers
| CAS Number | 848671-72-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=NC(=O)C4=CC=C(C=C4)F)CCCOC |
Product Overview
AO-022/43454300 (CAS 848671-72-7), with molecular formula C26H25FN4O5 and molecular weight 492.18 g/mol. IUPAC: ethyl 6-(4-fluorobenzoyl)imino-7-(3-methoxypropyl)-11-methyl-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-022/43454300
Property Insights of AO-022/43454300
The XLogP value of 3.05102 indicates that AO-022/43454300 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.26 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/43454300. Following Lipinski's Rule of Five, AO-022/43454300 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-022/43454300?
The CAS number of AO-022/43454300 is 848671-72-7.
What is the molecular formula of AO-022/43454300?
The molecular formula of AO-022/43454300 is C26H25FN4O5.
What is the molecular weight of AO-022/43454300?
The molecular weight of AO-022/43454300 is 492.18 g/mol.
Where can I buy AO-022/43454300?
You can request a quote for AO-022/43454300 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43454300?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43454300 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.