![methyl 4-[(3E)-3-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-2-yl]benzoate structure](/static/products/799/799780-31-7.png)
methyl 4-[(3E)-3-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-2-yl]benzoate
TL;DR: methyl 4-[(3E)-3-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-2-yl]benzoate (CAS 799780-31-7) is a chemical compound with molecular formula C26H27FN2O6 and molecular weight 482.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3E)-3-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-2-yl]benzoate
Also Known As: methyl 4-[(3E)-3-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-2-yl]benzoate, Methyl 4-[(3E)-3-[(4-fluorophenyl)hydroxymethylene]-1-[3-(4-morpholinyl)propyl]-4,5-dioxo-2-pyrrolidinyl]benzoate
| Molecular Formula | C26H27FN2O6 |
|---|---|
| Molecular Weight | 482.19 g/mol |
| LogP | 2.7563 |
| Topological Polar Surface Area | 96.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 482.1853 |
| Heavy Atoms | 35 |
| Complexity | 1123.5359 |
Chemical Identifiers
| CAS Number | 799780-31-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)F)\O)/C(=O)C(=O)N2CCCN4CCOCC4 |
Product Overview
methyl 4-[(3E)-3-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-2-yl]benzoate (CAS 799780-31-7), with molecular formula C26H27FN2O6 and molecular weight 482.19 g/mol. IUPAC: methyl 4-[(3E)-3-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-2-yl]benzoate.
Chemical Property Profile of methyl 4-[(3E)-3-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-2-yl]benzoate
Property Insights of methyl 4-[(3E)-3-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-2-yl]benzoate
The XLogP value of 2.7563 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[(3E)-3-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-2-yl]benzoate. The TPSA of 96.38 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[(3E)-3-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-2-yl]benzoate. Following Lipinski's Rule of Five, methyl 4-[(3E)-3-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-2-yl]benzoate 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 methyl 4-[(3E)-3-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-2-yl]benzoate?
The CAS number of methyl 4-[(3E)-3-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-2-yl]benzoate is 799780-31-7.
What is the molecular formula of methyl 4-[(3E)-3-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-2-yl]benzoate?
The molecular formula of methyl 4-[(3E)-3-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-2-yl]benzoate is C26H27FN2O6.
What is the molecular weight of methyl 4-[(3E)-3-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-2-yl]benzoate?
The molecular weight of methyl 4-[(3E)-3-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-2-yl]benzoate is 482.19 g/mol.
Where can I buy methyl 4-[(3E)-3-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-2-yl]benzoate?
You can request a quote for methyl 4-[(3E)-3-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-2-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[(3E)-3-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-2-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(3E)-3-[(4-fluorophenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-4,5-dioxopyrrolidin-2-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.