![methyl 4-[1-[3-(dimethylamino)propyl]-3-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]benzoate structure](/static/products/6180/618075-05-1.webp)
methyl 4-[1-[3-(dimethylamino)propyl]-3-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]benzoate
TL;DR: methyl 4-[1-[3-(dimethylamino)propyl]-3-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]benzoate (CAS 618075-05-1) is a chemical compound with molecular formula C25H27FN2O6 and molecular weight 470.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[1-[3-(dimethylamino)propyl]-3-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]benzoate
Also Known As: methyl 4-[1-[3-(dimethylamino)propyl]-3-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]benzoate, methyl 4-{1-[3-(dimethylamino)propyl]-3-(3-fluoro-4-methoxybenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
| Molecular Formula | C25H27FN2O6 |
|---|---|
| Molecular Weight | 470.19 g/mol |
| LogP | 2.9943 |
| Topological Polar Surface Area | 96.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 470.1853 |
| Heavy Atoms | 34 |
| Complexity | 1126.7258 |
Chemical Identifiers
| CAS Number | 618075-05-1 |
|---|---|
| SMILES | CN(C)CCCN1C(C(=C(C2=CC(=C(C=C2)OC)F)O)C(=O)C1=O)C3=CC=C(C=C3)C(=O)OC |
Product Overview
methyl 4-[1-[3-(dimethylamino)propyl]-3-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]benzoate (CAS 618075-05-1), with molecular formula C25H27FN2O6 and molecular weight 470.19 g/mol. IUPAC: methyl 4-[1-[3-(dimethylamino)propyl]-3-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]benzoate.
Chemical Property Profile of methyl 4-[1-[3-(dimethylamino)propyl]-3-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]benzoate
Property Insights of methyl 4-[1-[3-(dimethylamino)propyl]-3-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]benzoate
The XLogP value of 2.9943 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[1-[3-(dimethylamino)propyl]-3-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-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-[1-[3-(dimethylamino)propyl]-3-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]benzoate. Following Lipinski's Rule of Five, methyl 4-[1-[3-(dimethylamino)propyl]-3-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-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-[1-[3-(dimethylamino)propyl]-3-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]benzoate?
The CAS number of methyl 4-[1-[3-(dimethylamino)propyl]-3-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]benzoate is 618075-05-1.
What is the molecular formula of methyl 4-[1-[3-(dimethylamino)propyl]-3-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]benzoate?
The molecular formula of methyl 4-[1-[3-(dimethylamino)propyl]-3-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]benzoate is C25H27FN2O6.
What is the molecular weight of methyl 4-[1-[3-(dimethylamino)propyl]-3-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]benzoate?
The molecular weight of methyl 4-[1-[3-(dimethylamino)propyl]-3-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]benzoate is 470.19 g/mol.
Where can I buy methyl 4-[1-[3-(dimethylamino)propyl]-3-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]benzoate?
You can request a quote for methyl 4-[1-[3-(dimethylamino)propyl]-3-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-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-[1-[3-(dimethylamino)propyl]-3-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[1-[3-(dimethylamino)propyl]-3-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.