AO-022/42044387
TL;DR: AO-022/42044387 (CAS 620140-11-6) is a chemical compound with molecular formula C27H31FN2O6 and molecular weight 498.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-(3,4-diethoxyphenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
Also Known As: AO-022/42044387, 5-(3,4-diethoxyphenyl)-4-(4-fluorobenzoyl)-3-hydroxy-1-[2-(4-morpholinyl)ethyl]-1,5-dihydro-2H-pyrrol-2-one, (4E)-5-(3,4-diethoxyphenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione, 5-(3,4-diethoxyphenyl)-4-(4-fluorobenzoyl)-3-hydroxy-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one, 5-(3,4-diethoxyphenyl)-4-[(4-fluorophenyl)carbonyl]-3-hydroxy-1-(2-morpholin-4 -ylethyl)-3-pyrrolin-2-one
| Molecular Formula | C27H31FN2O6 |
|---|---|
| Molecular Weight | 498.22 g/mol |
| LogP | 3.377 |
| Topological Polar Surface Area | 88.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 498.2166 |
| Heavy Atoms | 36 |
| Complexity | 1127.5839 |
Chemical Identifiers
| CAS Number | 620140-11-6 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)F)\O)/C(=O)C(=O)N2CCN4CCOCC4)OCC |
Product Overview
AO-022/42044387 (CAS 620140-11-6), with molecular formula C27H31FN2O6 and molecular weight 498.22 g/mol. IUPAC: (4E)-5-(3,4-diethoxyphenyl)-4-[(4-fluorophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione.
Chemical Property Profile of AO-022/42044387
Property Insights of AO-022/42044387
The XLogP value of 3.377 indicates that AO-022/42044387 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.54 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42044387. Following Lipinski's Rule of Five, AO-022/42044387 has 1 hydrogen bond donor(s) and 7 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-022/42044387?
The CAS number of AO-022/42044387 is 620140-11-6.
What is the molecular formula of AO-022/42044387?
The molecular formula of AO-022/42044387 is C27H31FN2O6.
What is the molecular weight of AO-022/42044387?
The molecular weight of AO-022/42044387 is 498.22 g/mol.
Where can I buy AO-022/42044387?
You can request a quote for AO-022/42044387 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42044387?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42044387 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.