![Methyl 4-[5-[[1-(4-bromophenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoate structure](/static/products/543/5431-73-2.png)
Methyl 4-[5-[[1-(4-bromophenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoate
TL;DR: Methyl 4-[5-[[1-(4-bromophenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoate (CAS 5431-73-2) is a chemical compound with molecular formula C22H15BrN2O5 and molecular weight 466.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[5-[[1-(4-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoate
Also Known As: Methyl 4-[5-[[1-(4-bromophenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoate, methyl 4-[5-[[1-(4-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoate
| Molecular Formula | C22H15BrN2O5 |
|---|---|
| Molecular Weight | 466.02 g/mol |
| LogP | 3.9571 |
| Topological Polar Surface Area | 88.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.01642 |
| Heavy Atoms | 30 |
| Complexity | 1162.9984 |
Chemical Identifiers
| CAS Number | 5431-73-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)NN(C3=O)C4=CC=C(C=C4)Br |
Product Overview
Methyl 4-[5-[[1-(4-bromophenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoate (CAS 5431-73-2), with molecular formula C22H15BrN2O5 and molecular weight 466.02 g/mol. IUPAC: methyl 4-[5-[[1-(4-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]furan-2-yl]benzoate.
Chemical Property Profile of Methyl 4-[5-[[1-(4-bromophenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoate
Property Insights of Methyl 4-[5-[[1-(4-bromophenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoate
The XLogP value of 3.9571 indicates that Methyl 4-[5-[[1-(4-bromophenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.85 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[5-[[1-(4-bromophenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoate. Following Lipinski's Rule of Five, Methyl 4-[5-[[1-(4-bromophenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoate has 1 hydrogen bond donor(s) and 5 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-[5-[[1-(4-bromophenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoate?
The CAS number of Methyl 4-[5-[[1-(4-bromophenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoate is 5431-73-2.
What is the molecular formula of Methyl 4-[5-[[1-(4-bromophenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoate?
The molecular formula of Methyl 4-[5-[[1-(4-bromophenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoate is C22H15BrN2O5.
What is the molecular weight of Methyl 4-[5-[[1-(4-bromophenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoate?
The molecular weight of Methyl 4-[5-[[1-(4-bromophenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoate is 466.02 g/mol.
Where can I buy Methyl 4-[5-[[1-(4-bromophenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoate?
You can request a quote for Methyl 4-[5-[[1-(4-bromophenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]-2-furyl]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-[5-[[1-(4-bromophenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[5-[[1-(4-bromophenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]-2-furyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.