AO-022/42016858
TL;DR: AO-022/42016858 (CAS 618366-47-5) is a chemical compound with molecular formula C26H28N2O5 and molecular weight 448.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one
Also Known As: AO-022/42016858, F3226-0974, 4-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one, 4-(1-benzofuran-2-ylcarbonyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-5-(3-methoxyphenyl)-1,5-dihydro-2H-pyrrol-2-one, 4-(benzofuran-2-carbonyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(3-methoxyphenyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C26H28N2O5 |
|---|---|
| Molecular Weight | 448.20 g/mol |
| LogP | 4.3615 |
| Topological Polar Surface Area | 83.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 448.19983 |
| Heavy Atoms | 33 |
| Complexity | 1175.1224 |
Chemical Identifiers
| CAS Number | 618366-47-5 |
|---|---|
| SMILES | CCN(CC)CCN1C(C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC(=CC=C4)OC |
Product Overview
AO-022/42016858 (CAS 618366-47-5), with molecular formula C26H28N2O5 and molecular weight 448.20 g/mol. IUPAC: 3-(1-benzofuran-2-carbonyl)-1-[2-(diethylamino)ethyl]-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one.
Chemical Property Profile of AO-022/42016858
Property Insights of AO-022/42016858
The XLogP value of 4.3615 indicates that AO-022/42016858 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.22 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42016858. Following Lipinski's Rule of Five, AO-022/42016858 has 1 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-022/42016858?
The CAS number of AO-022/42016858 is 618366-47-5.
What is the molecular formula of AO-022/42016858?
The molecular formula of AO-022/42016858 is C26H28N2O5.
What is the molecular weight of AO-022/42016858?
The molecular weight of AO-022/42016858 is 448.20 g/mol.
Where can I buy AO-022/42016858?
You can request a quote for AO-022/42016858 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42016858?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42016858 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.