![Ethyl 4-({[1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbonyl}amino)benzoate structure](/static/products/3333/333352-77-5.webp)
Ethyl 4-({[1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbonyl}amino)benzoate
TL;DR: Ethyl 4-({[1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbonyl}amino)benzoate (CAS 333352-77-5) is a chemical compound with molecular formula C20H19BrN2O4 and molecular weight 430.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[1-(4-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
Also Known As: BAS 00790756, BIM-0035352.P001, ethyl 4-({[1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbonyl}amino)benzoate, ethyl 4-(1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxamido)benzoate, ethyl 4-[[1-(4-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
| Molecular Formula | C20H19BrN2O4 |
|---|---|
| Molecular Weight | 430.05 g/mol |
| LogP | 3.6174 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.05283 |
| Heavy Atoms | 27 |
| Complexity | 849.29034 |
Chemical Identifiers
| CAS Number | 333352-77-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)Br |
Product Overview
Ethyl 4-({[1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbonyl}amino)benzoate (CAS 333352-77-5), with molecular formula C20H19BrN2O4 and molecular weight 430.05 g/mol. IUPAC: ethyl 4-[[1-(4-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-({[1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbonyl}amino)benzoate
Property Insights of Ethyl 4-({[1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbonyl}amino)benzoate
The XLogP value of 3.6174 indicates that Ethyl 4-({[1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbonyl}amino)benzoate 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 Ethyl 4-({[1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbonyl}amino)benzoate. Following Lipinski's Rule of Five, Ethyl 4-({[1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbonyl}amino)benzoate 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 Ethyl 4-({[1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbonyl}amino)benzoate?
The CAS number of Ethyl 4-({[1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbonyl}amino)benzoate is 333352-77-5.
What is the molecular formula of Ethyl 4-({[1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbonyl}amino)benzoate?
The molecular formula of Ethyl 4-({[1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbonyl}amino)benzoate is C20H19BrN2O4.
What is the molecular weight of Ethyl 4-({[1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbonyl}amino)benzoate?
The molecular weight of Ethyl 4-({[1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbonyl}amino)benzoate is 430.05 g/mol.
Where can I buy Ethyl 4-({[1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbonyl}amino)benzoate?
You can request a quote for Ethyl 4-({[1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbonyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-({[1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbonyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-({[1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]carbonyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.