AO-022/42019717
TL;DR: AO-022/42019717 (CAS 618875-99-3) is a chemical compound with molecular formula C22H17BrN2O4 and molecular weight 452.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)pyrrolidine-2,3-dione
Also Known As: AO-022/42019717, 4-(4-bromobenzoyl)-3-hydroxy-1-(5-methyl-3-isoxazolyl)-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one, (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)pyrrolidine-2,3-dione, 4-(4-bromobenzoyl)-3-hydroxy-1-(5-methylisoxazol-3-yl)-5-(p-tolyl)-1H-pyrrol-2(5H)-one, (4E)-4-[(4-bromophenyl)(hydroxy)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)pyrrolidine-2,3-dione
| Molecular Formula | C22H17BrN2O4 |
|---|---|
| Molecular Weight | 452.04 g/mol |
| LogP | 4.68024 |
| Topological Polar Surface Area | 83.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 452.03717 |
| Heavy Atoms | 29 |
| Complexity | 1130.3788 |
Chemical Identifiers
| CAS Number | 618875-99-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)Br)\O)/C(=O)C(=O)N2C4=NOC(=C4)C |
Product Overview
AO-022/42019717 (CAS 618875-99-3), with molecular formula C22H17BrN2O4 and molecular weight 452.04 g/mol. IUPAC: (4E)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)-5-(4-methylphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AO-022/42019717
Property Insights of AO-022/42019717
The XLogP value of 4.68024 indicates that AO-022/42019717 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-022/42019717. Following Lipinski's Rule of Five, AO-022/42019717 has 1 hydrogen bond donor(s) and 5 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-022/42019717?
The CAS number of AO-022/42019717 is 618875-99-3.
What is the molecular formula of AO-022/42019717?
The molecular formula of AO-022/42019717 is C22H17BrN2O4.
What is the molecular weight of AO-022/42019717?
The molecular weight of AO-022/42019717 is 452.04 g/mol.
Where can I buy AO-022/42019717?
You can request a quote for AO-022/42019717 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42019717?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42019717 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.