AO-022/42398961
TL;DR: AO-022/42398961 (CAS 636987-57-0) is a chemical compound with molecular formula C25H27ClN2O5 and molecular weight 470.16 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-(3-morpholin-4-ylpropyl)-5-phenylpyrrolidine-2,3-dione
Also Known As: AO-022/42398961, 4-(3-chloro-4-methoxybenzoyl)-3-hydroxy-1-[3-(4-morpholinyl)propyl]-5-phenyl-1,5-dihydro-2H-pyrrol-2-one, 4-(3-chloro-4-methoxybenzoyl)-3-hydroxy-1-(3-morpholinopropyl)-5-phenyl-1H-pyrrol-2(5H)-one, (4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrolidine-2,3-dione, 4-[(3-chloro-4-methoxyphenyl)carbonyl]-3-hydroxy-1-(3-morpholin-4-ylpropyl)-5- phenyl-3-pyrrolin-2-one
| Molecular Formula | C25H27ClN2O5 |
|---|---|
| Molecular Weight | 470.16 g/mol |
| LogP | 3.4926 |
| Topological Polar Surface Area | 79.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.16086 |
| Heavy Atoms | 33 |
| Complexity | 1050.0177 |
Chemical Identifiers
| CAS Number | 636987-57-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=CC=C4)/O)Cl |
Product Overview
AO-022/42398961 (CAS 636987-57-0), with molecular formula C25H27ClN2O5 and molecular weight 470.16 g/mol. IUPAC: (4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrolidine-2,3-dione.
Chemical Property Profile of AO-022/42398961
Property Insights of AO-022/42398961
The XLogP value of 3.4926 indicates that AO-022/42398961 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-022/42398961. Following Lipinski's Rule of Five, AO-022/42398961 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-022/42398961?
The CAS number of AO-022/42398961 is 636987-57-0.
What is the molecular formula of AO-022/42398961?
The molecular formula of AO-022/42398961 is C25H27ClN2O5.
What is the molecular weight of AO-022/42398961?
The molecular weight of AO-022/42398961 is 470.16 g/mol.
Where can I buy AO-022/42398961?
You can request a quote for AO-022/42398961 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42398961?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42398961 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.