AO-022/13766589
TL;DR: AO-022/13766589 (CAS 799839-92-2) is a chemical compound with molecular formula C25H20ClNO3 and molecular weight 417.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-1-(3-chloro-4-methylphenyl)-4-[hydroxy(phenyl)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione
Also Known As: AO-022/13766589, 4-benzoyl-1-(3-chloro-4-methylphenyl)-3-hydroxy-5-(4-methylphenyl)-1,5-dihydro-2H-pyrrol-2-one, (4E)-1-(3-chloro-4-methylphenyl)-4-[hydroxy(phenyl)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione, 4-benzoyl-1-(3-chloro-4-methylphenyl)-3-hydroxy-5-(p-tolyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C25H20ClNO3 |
|---|---|
| Molecular Weight | 417.11 g/mol |
| LogP | 5.58314 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.11316 |
| Heavy Atoms | 30 |
| Complexity | 1166.7579 |
Chemical Identifiers
| CAS Number | 799839-92-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2/C(=C(/C3=CC=CC=C3)\O)/C(=O)C(=O)N2C4=CC(=C(C=C4)C)Cl |
Product Overview
AO-022/13766589 (CAS 799839-92-2), with molecular formula C25H20ClNO3 and molecular weight 417.11 g/mol. IUPAC: (4E)-1-(3-chloro-4-methylphenyl)-4-[hydroxy(phenyl)methylidene]-5-(4-methylphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AO-022/13766589
Property Insights of AO-022/13766589
The XLogP value of 5.58314 indicates that AO-022/13766589 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, AO-022/13766589 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-022/13766589 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-022/13766589?
The CAS number of AO-022/13766589 is 799839-92-2.
What is the molecular formula of AO-022/13766589?
The molecular formula of AO-022/13766589 is C25H20ClNO3.
What is the molecular weight of AO-022/13766589?
The molecular weight of AO-022/13766589 is 417.11 g/mol.
Where can I buy AO-022/13766589?
You can request a quote for AO-022/13766589 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/13766589?
Yes, KEHONG BIO provides custom synthesis services for AO-022/13766589 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.