AO-022/42019873
TL;DR: AO-022/42019873 (CAS 618871-55-9) is a chemical compound with molecular formula C25H22N2O7 and molecular weight 462.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3E)-3-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
Also Known As: AO-022/42019873, methyl 4-[(3E)-3-[(4-ethoxyphenyl)(hydroxy)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)-4,5-dioxopyrrolidin-2-yl]benzoate, methyl 4-[(3E)-3-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)-4,5-dioxopyrrolidin-2-yl]benzoate, methyl 4-(3-(4-ethoxybenzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate, methyl 4-[3-(4-ethoxybenzoyl)-4-hydroxy-1-(5-methyl-3-isoxazolyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
| Molecular Formula | C25H22N2O7 |
|---|---|
| Molecular Weight | 462.14 g/mol |
| LogP | 3.79462 |
| Topological Polar Surface Area | 119.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.1427 |
| Heavy Atoms | 34 |
| Complexity | 1273.3528 |
Chemical Identifiers
| CAS Number | 618871-55-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=NOC(=C3)C)C4=CC=C(C=C4)C(=O)OC)/O |
Product Overview
AO-022/42019873 (CAS 618871-55-9), with molecular formula C25H22N2O7 and molecular weight 462.14 g/mol. IUPAC: methyl 4-[(3E)-3-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)-4,5-dioxopyrrolidin-2-yl]benzoate.
Chemical Property Profile of AO-022/42019873
Property Insights of AO-022/42019873
The XLogP value of 3.79462 indicates that AO-022/42019873 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.17 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/42019873. Following Lipinski's Rule of Five, AO-022/42019873 has 1 hydrogen bond donor(s) and 8 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-022/42019873?
The CAS number of AO-022/42019873 is 618871-55-9.
What is the molecular formula of AO-022/42019873?
The molecular formula of AO-022/42019873 is C25H22N2O7.
What is the molecular weight of AO-022/42019873?
The molecular weight of AO-022/42019873 is 462.14 g/mol.
Where can I buy AO-022/42019873?
You can request a quote for AO-022/42019873 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/42019873?
Yes, KEHONG BIO provides custom synthesis services for AO-022/42019873 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.