![methyl 4-[3-(4-bromobenzoyl)-1-[(furan-2-yl)methyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate structure](/static/products/616/616213-39-9.png)
methyl 4-[3-(4-bromobenzoyl)-1-[(furan-2-yl)methyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
TL;DR: methyl 4-[3-(4-bromobenzoyl)-1-[(furan-2-yl)methyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate (CAS 616213-39-9) is a chemical compound with molecular formula C24H18BrNO6 and molecular weight 495.03 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-(furan-2-ylmethyl)-4,5-dioxopyrrolidin-2-yl]benzoate
Also Known As: methyl 4-[3-(4-bromobenzoyl)-1-[(furan-2-yl)methyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate, methyl 4-[(3E)-3-[(4-bromophenyl)-hydroxymethylidene]-1-(furan-2-ylmethyl)-4,5-dioxopyrrolidin-2-yl]benzoate, METHYL 4-[3-(4-BROMOBENZOYL)-1-(2-FURYLMETHYL)-4-HYDROXY-5-OXO-2,5-DIHYDRO-1H-PYRROL-2-YL]BENZOATE, methyl 4-{3-[(4-bromophenyl)carbonyl]-1-(furan-2-ylmethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl}benzoate
| Molecular Formula | C24H18BrNO6 |
|---|---|
| Molecular Weight | 495.03 g/mol |
| LogP | 4.4506 |
| Topological Polar Surface Area | 97.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.03174 |
| Heavy Atoms | 32 |
| Complexity | 1196.3011 |
Chemical Identifiers
| CAS Number | 616213-39-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)Br)\O)/C(=O)C(=O)N2CC4=CC=CO4 |
Product Overview
methyl 4-[3-(4-bromobenzoyl)-1-[(furan-2-yl)methyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate (CAS 616213-39-9), with molecular formula C24H18BrNO6 and molecular weight 495.03 g/mol. IUPAC: methyl 4-[(3E)-3-[(4-bromophenyl)-hydroxymethylidene]-1-(furan-2-ylmethyl)-4,5-dioxopyrrolidin-2-yl]benzoate.
Chemical Property Profile of methyl 4-[3-(4-bromobenzoyl)-1-[(furan-2-yl)methyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
Property Insights of methyl 4-[3-(4-bromobenzoyl)-1-[(furan-2-yl)methyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
The XLogP value of 4.4506 indicates that methyl 4-[3-(4-bromobenzoyl)-1-[(furan-2-yl)methyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.05 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[3-(4-bromobenzoyl)-1-[(furan-2-yl)methyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate. Following Lipinski's Rule of Five, methyl 4-[3-(4-bromobenzoyl)-1-[(furan-2-yl)methyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate has 1 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-[3-(4-bromobenzoyl)-1-[(furan-2-yl)methyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate?
The CAS number of methyl 4-[3-(4-bromobenzoyl)-1-[(furan-2-yl)methyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate is 616213-39-9.
What is the molecular formula of methyl 4-[3-(4-bromobenzoyl)-1-[(furan-2-yl)methyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate?
The molecular formula of methyl 4-[3-(4-bromobenzoyl)-1-[(furan-2-yl)methyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate is C24H18BrNO6.
What is the molecular weight of methyl 4-[3-(4-bromobenzoyl)-1-[(furan-2-yl)methyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate?
The molecular weight of methyl 4-[3-(4-bromobenzoyl)-1-[(furan-2-yl)methyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate is 495.03 g/mol.
Where can I buy methyl 4-[3-(4-bromobenzoyl)-1-[(furan-2-yl)methyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate?
You can request a quote for methyl 4-[3-(4-bromobenzoyl)-1-[(furan-2-yl)methyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-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-[3-(4-bromobenzoyl)-1-[(furan-2-yl)methyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[3-(4-bromobenzoyl)-1-[(furan-2-yl)methyl]-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.