![4-[[1-(4-Bromophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]phenyl 2-thiophenecarboxylate structure](/static/products/6922/692262-40-1.webp)
4-[[1-(4-Bromophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]phenyl 2-thiophenecarboxylate
TL;DR: 4-[[1-(4-Bromophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]phenyl 2-thiophenecarboxylate (CAS 692262-40-1) is a chemical compound with molecular formula C21H13BrN2O4S and molecular weight 467.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[[1-(4-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]phenyl] thiophene-2-carboxylate
Also Known As: 4-[[1-(4-Bromophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]phenyl 2-thiophenecarboxylate, 4-{[1-(4-Bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenyl thiophene-2-carboxylate, [4-[[1-(4-bromophenyl)-3,5-dioxo-pyrazolidin-4-ylidene]methyl]phenyl] Thiophene-2-carboxylate, [4-[[1-(4-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]phenyl] thiophene-2-carboxylate
| Molecular Formula | C21H13BrN2O4S |
|---|---|
| Molecular Weight | 467.98 g/mol |
| LogP | 4.1912 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 467.97794 |
| Heavy Atoms | 29 |
| Complexity | 1106.5975 |
Chemical Identifiers
| CAS Number | 692262-40-1 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)OC2=CC=C(C=C2)C=C3C(=O)NN(C3=O)C4=CC=C(C=C4)Br |
Product Overview
4-[[1-(4-Bromophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]phenyl 2-thiophenecarboxylate (CAS 692262-40-1), with molecular formula C21H13BrN2O4S and molecular weight 467.98 g/mol. IUPAC: [4-[[1-(4-bromophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]phenyl] thiophene-2-carboxylate.
Chemical Property Profile of 4-[[1-(4-Bromophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]phenyl 2-thiophenecarboxylate
Property Insights of 4-[[1-(4-Bromophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]phenyl 2-thiophenecarboxylate
The XLogP value of 4.1912 indicates that 4-[[1-(4-Bromophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]phenyl 2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[1-(4-Bromophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]phenyl 2-thiophenecarboxylate. Following Lipinski's Rule of Five, 4-[[1-(4-Bromophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]phenyl 2-thiophenecarboxylate 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 4-[[1-(4-Bromophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]phenyl 2-thiophenecarboxylate?
The CAS number of 4-[[1-(4-Bromophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]phenyl 2-thiophenecarboxylate is 692262-40-1.
What is the molecular formula of 4-[[1-(4-Bromophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]phenyl 2-thiophenecarboxylate?
The molecular formula of 4-[[1-(4-Bromophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]phenyl 2-thiophenecarboxylate is C21H13BrN2O4S.
What is the molecular weight of 4-[[1-(4-Bromophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]phenyl 2-thiophenecarboxylate?
The molecular weight of 4-[[1-(4-Bromophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]phenyl 2-thiophenecarboxylate is 467.98 g/mol.
Where can I buy 4-[[1-(4-Bromophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]phenyl 2-thiophenecarboxylate?
You can request a quote for 4-[[1-(4-Bromophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]phenyl 2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[1-(4-Bromophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]phenyl 2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-[[1-(4-Bromophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl]phenyl 2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.