AO-022/42020032
TL;DR: AO-022/42020032 (CAS 618874-83-2) is a chemical compound with molecular formula C21H13Cl2FN2O4 and molecular weight 446.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione
Also Known As: AO-022/42020032, 5-(3,4-dichlorophenyl)-4-(4-fluorobenzoyl)-3-hydroxy-1-(5-methyl-3-isoxazolyl)-1,5-dihydro-2H-pyrrol-2-one, (4E)-5-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione, (4E)-5-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)(hydroxy)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione, 5-(3,4-dichlorophenyl)-4-(4-fluorobenzoyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C21H13Cl2FN2O4 |
|---|---|
| Molecular Weight | 446.02 g/mol |
| LogP | 5.05522 |
| Topological Polar Surface Area | 83.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 446.02365 |
| Heavy Atoms | 30 |
| Complexity | 1203.9703 |
Chemical Identifiers
| CAS Number | 618874-83-2 |
|---|---|
| SMILES | CC1=CC(=NO1)N2C(/C(=C(/C3=CC=C(C=C3)F)\O)/C(=O)C2=O)C4=CC(=C(C=C4)Cl)Cl |
Product Overview
AO-022/42020032 (CAS 618874-83-2), with molecular formula C21H13Cl2FN2O4 and molecular weight 446.02 g/mol. IUPAC: (4E)-5-(3,4-dichlorophenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2,3-dione.
Chemical Property Profile of AO-022/42020032
Property Insights of AO-022/42020032
The XLogP value of 5.05522 indicates that AO-022/42020032 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.64 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42020032. Following Lipinski's Rule of Five, AO-022/42020032 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-022/42020032?
The CAS number of AO-022/42020032 is 618874-83-2.
What is the molecular formula of AO-022/42020032?
The molecular formula of AO-022/42020032 is C21H13Cl2FN2O4.
What is the molecular weight of AO-022/42020032?
The molecular weight of AO-022/42020032 is 446.02 g/mol.
Where can I buy AO-022/42020032?
You can request a quote for AO-022/42020032 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42020032?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42020032 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.