AO-022/42398521
TL;DR: AO-022/42398521 (CAS 586994-29-8) is a chemical compound with molecular formula C22H22ClFN2O4 and molecular weight 432.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)pyrrolidine-2,3-dione
Also Known As: AO-022/42398521, 4-(3-chloro-4-methoxybenzoyl)-1-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one, 4-(3-chloro-4-methoxybenzoyl)-1-(2-(dimethylamino)ethyl)-5-(2-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one, (4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-(2-dimethylaminoethyl)-5-(2-fluorophenyl)pyrrolidine-2,3-dione, (4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)pyrrolidine-2,3-dione
| Molecular Formula | C22H22ClFN2O4 |
|---|---|
| Molecular Weight | 432.13 g/mol |
| LogP | 3.471 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.1252 |
| Heavy Atoms | 30 |
| Complexity | 1021.94714 |
Chemical Identifiers
| CAS Number | 586994-29-8 |
|---|---|
| SMILES | CN(C)CCN1C(/C(=C(/C2=CC(=C(C=C2)OC)Cl)\O)/C(=O)C1=O)C3=CC=CC=C3F |
Product Overview
AO-022/42398521 (CAS 586994-29-8), with molecular formula C22H22ClFN2O4 and molecular weight 432.13 g/mol. IUPAC: (4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AO-022/42398521
Property Insights of AO-022/42398521
The XLogP value of 3.471 indicates that AO-022/42398521 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42398521. Following Lipinski's Rule of Five, AO-022/42398521 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-022/42398521?
The CAS number of AO-022/42398521 is 586994-29-8.
What is the molecular formula of AO-022/42398521?
The molecular formula of AO-022/42398521 is C22H22ClFN2O4.
What is the molecular weight of AO-022/42398521?
The molecular weight of AO-022/42398521 is 432.13 g/mol.
Where can I buy AO-022/42398521?
You can request a quote for AO-022/42398521 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42398521?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42398521 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.