![methyl 4-[[1-(2-dimethylaminoethyl)-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate structure](/static/products/847/847184-96-7.png)
methyl 4-[[1-(2-dimethylaminoethyl)-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
TL;DR: methyl 4-[[1-(2-dimethylaminoethyl)-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 847184-96-7) is a chemical compound with molecular formula C23H26FN3O5 and molecular weight 443.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[1-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: methyl 4-[[1-(2-dimethylaminoethyl)-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate, methyl 4-{1-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrole-3-carbonyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C23H26FN3O5 |
|---|---|
| Molecular Weight | 443.19 g/mol |
| LogP | 2.54054 |
| Topological Polar Surface Area | 102.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 443.18564 |
| Heavy Atoms | 32 |
| Complexity | 1118.8303 |
Chemical Identifiers
| CAS Number | 847184-96-7 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCN(C)C)C3=CC(=CC=C3)F)O)C)C(=O)OC |
Product Overview
methyl 4-[[1-(2-dimethylaminoethyl)-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 847184-96-7), with molecular formula C23H26FN3O5 and molecular weight 443.19 g/mol. IUPAC: methyl 4-[[1-[2-(dimethylamino)ethyl]-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of methyl 4-[[1-(2-dimethylaminoethyl)-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Property Insights of methyl 4-[[1-(2-dimethylaminoethyl)-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
The XLogP value of 2.54054 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[[1-(2-dimethylaminoethyl)-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate. The TPSA of 102.94 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[[1-(2-dimethylaminoethyl)-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, methyl 4-[[1-(2-dimethylaminoethyl)-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate has 2 hydrogen bond donor(s) and 6 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-(2-dimethylaminoethyl)-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The CAS number of methyl 4-[[1-(2-dimethylaminoethyl)-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate is 847184-96-7.
What is the molecular formula of methyl 4-[[1-(2-dimethylaminoethyl)-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular formula of methyl 4-[[1-(2-dimethylaminoethyl)-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate is C23H26FN3O5.
What is the molecular weight of methyl 4-[[1-(2-dimethylaminoethyl)-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular weight of methyl 4-[[1-(2-dimethylaminoethyl)-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate is 443.19 g/mol.
Where can I buy methyl 4-[[1-(2-dimethylaminoethyl)-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
You can request a quote for methyl 4-[[1-(2-dimethylaminoethyl)-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate 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-(2-dimethylaminoethyl)-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[[1-(2-dimethylaminoethyl)-2-(3-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.