![methyl 4-[(3E)-3-[(4-bromophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-4,5-dioxopyrrolidin-2-yl]benzoate structure](/static/products/488/488706-87-2.png)
methyl 4-[(3E)-3-[(4-bromophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-4,5-dioxopyrrolidin-2-yl]benzoate
TL;DR: methyl 4-[(3E)-3-[(4-bromophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-4,5-dioxopyrrolidin-2-yl]benzoate (CAS 488706-87-2) is a chemical compound with molecular formula C25H25BrN2O6 and molecular weight 528.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3E)-3-[(4-bromophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-4,5-dioxopyrrolidin-2-yl]benzoate
Also Known As: methyl 4-[(3E)-3-[(4-bromophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-4,5-dioxopyrrolidin-2-yl]benzoate
| Molecular Formula | C25H25BrN2O6 |
|---|---|
| Molecular Weight | 528.09 g/mol |
| LogP | 2.9896 |
| Topological Polar Surface Area | 96.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 528.0896 |
| Heavy Atoms | 34 |
| Complexity | 1107.2307 |
Chemical Identifiers
| CAS Number | 488706-87-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)Br)\O)/C(=O)C(=O)N2CCN4CCOCC4 |
Product Overview
methyl 4-[(3E)-3-[(4-bromophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-4,5-dioxopyrrolidin-2-yl]benzoate (CAS 488706-87-2), with molecular formula C25H25BrN2O6 and molecular weight 528.09 g/mol. IUPAC: methyl 4-[(3E)-3-[(4-bromophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-4,5-dioxopyrrolidin-2-yl]benzoate.
Chemical Property Profile of methyl 4-[(3E)-3-[(4-bromophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-4,5-dioxopyrrolidin-2-yl]benzoate
Property Insights of methyl 4-[(3E)-3-[(4-bromophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-4,5-dioxopyrrolidin-2-yl]benzoate
The XLogP value of 2.9896 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[(3E)-3-[(4-bromophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-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-bromophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-4,5-dioxopyrrolidin-2-yl]benzoate. Following Lipinski's Rule of Five, methyl 4-[(3E)-3-[(4-bromophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-4,5-dioxopyrrolidin-2-yl]benzoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-[(3E)-3-[(4-bromophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-4,5-dioxopyrrolidin-2-yl]benzoate?
The CAS number of methyl 4-[(3E)-3-[(4-bromophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-4,5-dioxopyrrolidin-2-yl]benzoate is 488706-87-2.
What is the molecular formula of methyl 4-[(3E)-3-[(4-bromophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-4,5-dioxopyrrolidin-2-yl]benzoate?
The molecular formula of methyl 4-[(3E)-3-[(4-bromophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-4,5-dioxopyrrolidin-2-yl]benzoate is C25H25BrN2O6.
What is the molecular weight of methyl 4-[(3E)-3-[(4-bromophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-4,5-dioxopyrrolidin-2-yl]benzoate?
The molecular weight of methyl 4-[(3E)-3-[(4-bromophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-4,5-dioxopyrrolidin-2-yl]benzoate is 528.09 g/mol.
Where can I buy methyl 4-[(3E)-3-[(4-bromophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-4,5-dioxopyrrolidin-2-yl]benzoate?
You can request a quote for methyl 4-[(3E)-3-[(4-bromophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-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-bromophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-4,5-dioxopyrrolidin-2-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(3E)-3-[(4-bromophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-4,5-dioxopyrrolidin-2-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.