AO-022/43454188
TL;DR: AO-022/43454188 (CAS 847185-06-2) is a chemical compound with molecular formula C27H28N4O5 and molecular weight 488.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-(3-ethoxypropyl)-6-(3-methylbenzoyl)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-022/43454188, ethyl 1-(3-ethoxypropyl)-2-[(3-methylbenzoyl)imino]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate, Ethyl 7-(3-ethoxypropyl)-6-(3-methylbenzoyl)imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate, (Z)-ethyl 1-(3-ethoxypropyl)-2-((3-methylbenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl (2Z)-1-(3-ethoxypropyl)-2-{[(3-methylphenyl)carbonyl]imino}-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
| Molecular Formula | C27H28N4O5 |
|---|---|
| Molecular Weight | 488.21 g/mol |
| LogP | 3.30202 |
| Topological Polar Surface Area | 104.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 488.20596 |
| Heavy Atoms | 36 |
| Complexity | 1568.5226 |
Chemical Identifiers
| CAS Number | 847185-06-2 |
|---|---|
| SMILES | CCOCCCN1C2=C(C=C(C1=NC(=O)C3=CC=CC(=C3)C)C(=O)OCC)C(=O)N4C=CC=CC4=N2 |
Product Overview
AO-022/43454188 (CAS 847185-06-2), with molecular formula C27H28N4O5 and molecular weight 488.21 g/mol. IUPAC: ethyl 7-(3-ethoxypropyl)-6-(3-methylbenzoyl)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-022/43454188
Property Insights of AO-022/43454188
The XLogP value of 3.30202 indicates that AO-022/43454188 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-022/43454188. Following Lipinski's Rule of Five, AO-022/43454188 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-022/43454188?
The CAS number of AO-022/43454188 is 847185-06-2.
What is the molecular formula of AO-022/43454188?
The molecular formula of AO-022/43454188 is C27H28N4O5.
What is the molecular weight of AO-022/43454188?
The molecular weight of AO-022/43454188 is 488.21 g/mol.
Where can I buy AO-022/43454188?
You can request a quote for AO-022/43454188 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/43454188?
Yes, KEHONG BIO provides custom synthesis services for AO-022/43454188 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.