2-(4-Bromophenyl)-2-oxoethyl 1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylate
TL;DR: 2-(4-Bromophenyl)-2-oxoethyl 1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylate (CAS 331982-74-2) is a chemical compound with molecular formula C20H18BrNO4 and molecular weight 415.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
Also Known As: BAS 00729528, [2-(4-bromophenyl)-2-oxoethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate, 2-(4-bromophenyl)-2-oxoethyl 1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylate, 2-(4-bromophenyl)-2-oxoethyl 5-oxo-1-(p-tolyl)pyrrolidine-3-carboxylate, 2-(4-bromophenyl)-2-oxoethyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
| Molecular Formula | C20H18BrNO4 |
|---|---|
| Molecular Weight | 415.04 g/mol |
| LogP | 3.53652 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.04193 |
| Heavy Atoms | 26 |
| Complexity | 829.8946 |
Chemical Identifiers
| CAS Number | 331982-74-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC(=O)C3=CC=C(C=C3)Br |
Product Overview
2-(4-Bromophenyl)-2-oxoethyl 1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylate (CAS 331982-74-2), with molecular formula C20H18BrNO4 and molecular weight 415.04 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate.
Chemical Property Profile of 2-(4-Bromophenyl)-2-oxoethyl 1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylate
Property Insights of 2-(4-Bromophenyl)-2-oxoethyl 1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylate
The XLogP value of 3.53652 indicates that 2-(4-Bromophenyl)-2-oxoethyl 1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Bromophenyl)-2-oxoethyl 1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylate. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-2-oxoethyl 1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylate has 0 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-(4-Bromophenyl)-2-oxoethyl 1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylate?
The CAS number of 2-(4-Bromophenyl)-2-oxoethyl 1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylate is 331982-74-2.
What is the molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylate?
The molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylate is C20H18BrNO4.
What is the molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylate?
The molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylate is 415.04 g/mol.
Where can I buy 2-(4-Bromophenyl)-2-oxoethyl 1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylate?
You can request a quote for 2-(4-Bromophenyl)-2-oxoethyl 1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromophenyl)-2-oxoethyl 1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-2-oxoethyl 1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.