AO-022/43453530
TL;DR: AO-022/43453530 (CAS 847036-72-0) 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 7-(3-ethoxypropyl)-6-(3-fluorobenzoyl)imino-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-022/43453530, (Z)-ethyl 1-(3-ethoxypropyl)-2-((3-fluorobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, Ethyl 7-(3-ethoxypropyl)-6-(3-fluorobenzoyl)imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate, ethyl (2Z)-1-(3-ethoxypropyl)-2-{[(3-fluorophenyl)carbonyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl 1-(3-ethoxypropyl)-2-[(3-fluorobenzoyl)imino]-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 | 3.1327 |
| Topological Polar Surface Area | 104.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 492.1809 |
| Heavy Atoms | 36 |
| Complexity | 1574.6931 |
Chemical Identifiers
| CAS Number | 847036-72-0 |
|---|---|
| SMILES | CCOCCCN1C2=C(C=C(C1=NC(=O)C3=CC(=CC=C3)F)C(=O)OCC)C(=O)N4C=CC=CC4=N2 |
Product Overview
AO-022/43453530 (CAS 847036-72-0), with molecular formula C26H25FN4O5 and molecular weight 492.18 g/mol. IUPAC: ethyl 7-(3-ethoxypropyl)-6-(3-fluorobenzoyl)imino-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-022/43453530
Property Insights of AO-022/43453530
The XLogP value of 3.1327 indicates that AO-022/43453530 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-022/43453530. Following Lipinski's Rule of Five, AO-022/43453530 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-022/43453530?
The CAS number of AO-022/43453530 is 847036-72-0.
What is the molecular formula of AO-022/43453530?
The molecular formula of AO-022/43453530 is C26H25FN4O5.
What is the molecular weight of AO-022/43453530?
The molecular weight of AO-022/43453530 is 492.18 g/mol.
Where can I buy AO-022/43453530?
You can request a quote for AO-022/43453530 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43453530?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43453530 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.