![[2-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 4-bromobenzoate structure](/static/products/5490/5490-45-9.webp)
[2-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 4-bromobenzoate
TL;DR: [2-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 4-bromobenzoate (CAS 5490-45-9) is a chemical compound with molecular formula C23H15BrN2O4 and molecular weight 462.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 4-bromobenzoate
Also Known As: [2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 4-bromobenzoate|2-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl 4-bromobenzoate|[2-[(3,5-dioxo-1-phenyl-pyrazolidin-4-ylidene)methyl]phenyl] 4-bromobenzoate
| Molecular Formula | C23H15BrN2O4 |
|---|---|
| Molecular Weight | 462.02 g/mol |
| LogP | 4.1297 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.0215 |
| Heavy Atoms | 30 |
| Complexity | 1157.3353 |
Chemical Identifiers
| CAS Number | 5490-45-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=CC=C3OC(=O)C4=CC=C(C=C4)Br)C(=O)N2 |
Product Overview
[2-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 4-bromobenzoate (CAS 5490-45-9), with molecular formula C23H15BrN2O4 and molecular weight 462.02 g/mol. IUPAC: [2-[(3,5-dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 4-bromobenzoate.
Chemical Property Profile of [2-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 4-bromobenzoate
Property Insights of [2-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 4-bromobenzoate
The XLogP value of 4.1297 indicates that [2-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 4-bromobenzoate 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 [2-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 4-bromobenzoate. Following Lipinski's Rule of Five, [2-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 4-bromobenzoate has 1 hydrogen bond donor(s) and 4 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 [2-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 4-bromobenzoate?
The CAS number of [2-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 4-bromobenzoate is 5490-45-9.
What is the molecular formula of [2-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 4-bromobenzoate?
The molecular formula of [2-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 4-bromobenzoate is C23H15BrN2O4.
What is the molecular weight of [2-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 4-bromobenzoate?
The molecular weight of [2-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 4-bromobenzoate is 462.02 g/mol.
Where can I buy [2-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 4-bromobenzoate?
You can request a quote for [2-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 4-bromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 4-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(3,5-Dioxo-1-phenylpyrazolidin-4-ylidene)methyl]phenyl] 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.