AO-022/42100097
TL;DR: AO-022/42100097 (CAS 613220-43-2) is a chemical compound with molecular formula C24H28N2O5 and molecular weight 424.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(2,5-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Also Known As: AO-022/42100097, (4E)-5-(2,5-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione, (E)-[2-(2,5-dimethoxyphenyl)-1-[3-(dimethylazaniumyl)propyl]-4,5-dioxopyrrolidin-3-ylidene]-phenylmethanolate, 4-benzoyl-5-(2,5-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one, 4-benzoyl-5-(2,5-dimethoxyphenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-1H-pyrrol-2(5H)-one
| Molecular Formula | C24H28N2O5 |
|---|---|
| Molecular Weight | 424.20 g/mol |
| LogP | 3.0772 |
| Topological Polar Surface Area | 79.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 424.19983 |
| Heavy Atoms | 31 |
| Complexity | 984.7191 |
Chemical Identifiers
| CAS Number | 613220-43-2 |
|---|---|
| SMILES | CN(C)CCCN1C(/C(=C(/C2=CC=CC=C2)\O)/C(=O)C1=O)C3=C(C=CC(=C3)OC)OC |
Product Overview
AO-022/42100097 (CAS 613220-43-2), with molecular formula C24H28N2O5 and molecular weight 424.20 g/mol. IUPAC: (4E)-5-(2,5-dimethoxyphenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione.
Chemical Property Profile of AO-022/42100097
Property Insights of AO-022/42100097
The XLogP value of 3.0772 indicates that AO-022/42100097 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.31 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42100097. Following Lipinski's Rule of Five, AO-022/42100097 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-022/42100097?
The CAS number of AO-022/42100097 is 613220-43-2.
What is the molecular formula of AO-022/42100097?
The molecular formula of AO-022/42100097 is C24H28N2O5.
What is the molecular weight of AO-022/42100097?
The molecular weight of AO-022/42100097 is 424.20 g/mol.
Where can I buy AO-022/42100097?
You can request a quote for AO-022/42100097 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42100097?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42100097 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.