AO-022/42398954
TL;DR: AO-022/42398954 (CAS 636987-41-2) is a chemical compound with molecular formula C25H29ClN2O5 and molecular weight 472.18 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-(dimethylamino)propyl]-5-(4-ethoxyphenyl)pyrrolidine-2,3-dione
Also Known As: AO-022/42398954, 4-(3-chloro-4-methoxybenzoyl)-1-[3-(dimethylamino)propyl]-5-(4-ethoxyphenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one, (4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-(4-ethoxyphenyl)pyrrolidine-2,3-dione, 1-[3-(dimethylamino)propyl]-4-[(3-chloro-4-methoxyphenyl)carbonyl]-5-(4-ethoxy phenyl)-3-hydroxy-3-pyrrolin-2-one, 4-(3-chloro-4-methoxybenzoyl)-1-(3-(dimethylamino)propyl)-5-(4-ethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
| Molecular Formula | C25H29ClN2O5 |
|---|---|
| Molecular Weight | 472.18 g/mol |
| LogP | 4.1207 |
| Topological Polar Surface Area | 79.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 472.1765 |
| Heavy Atoms | 33 |
| Complexity | 1049.2628 |
Chemical Identifiers
| CAS Number | 636987-41-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2/C(=C(/C3=CC(=C(C=C3)OC)Cl)\O)/C(=O)C(=O)N2CCCN(C)C |
Product Overview
AO-022/42398954 (CAS 636987-41-2), with molecular formula C25H29ClN2O5 and molecular weight 472.18 g/mol. IUPAC: (4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-[3-(dimethylamino)propyl]-5-(4-ethoxyphenyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AO-022/42398954
Property Insights of AO-022/42398954
The XLogP value of 4.1207 indicates that AO-022/42398954 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-022/42398954. Following Lipinski's Rule of Five, AO-022/42398954 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-022/42398954?
The CAS number of AO-022/42398954 is 636987-41-2.
What is the molecular formula of AO-022/42398954?
The molecular formula of AO-022/42398954 is C25H29ClN2O5.
What is the molecular weight of AO-022/42398954?
The molecular weight of AO-022/42398954 is 472.18 g/mol.
Where can I buy AO-022/42398954?
You can request a quote for AO-022/42398954 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42398954?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42398954 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.