4-Nitrobenzyl 1-(4-bromophenyl)-5-oxo-3-pyrrolidinecarboxylate
TL;DR: 4-Nitrobenzyl 1-(4-bromophenyl)-5-oxo-3-pyrrolidinecarboxylate (CAS 309736-47-8) is a chemical compound with molecular formula C18H15BrN2O5 and molecular weight 418.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate
Also Known As: BAS 00331574, 4-nitrobenzyl 1-(4-bromophenyl)-5-oxo-3-pyrrolidinecarboxylate, 4-nitrobenzyl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate, A2188/0091994, (4-nitrophenyl)methyl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate
| Molecular Formula | C18H15BrN2O5 |
|---|---|
| Molecular Weight | 418.02 g/mol |
| LogP | 3.4536 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.01642 |
| Heavy Atoms | 26 |
| Complexity | 835.6649 |
Chemical Identifiers
| CAS Number | 309736-47-8 |
|---|---|
| SMILES | C1C(CN(C1=O)C2=CC=C(C=C2)Br)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
4-Nitrobenzyl 1-(4-bromophenyl)-5-oxo-3-pyrrolidinecarboxylate (CAS 309736-47-8), with molecular formula C18H15BrN2O5 and molecular weight 418.02 g/mol. IUPAC: (4-nitrophenyl)methyl 1-(4-bromophenyl)-5-oxopyrrolidine-3-carboxylate.
Chemical Property Profile of 4-Nitrobenzyl 1-(4-bromophenyl)-5-oxo-3-pyrrolidinecarboxylate
Property Insights of 4-Nitrobenzyl 1-(4-bromophenyl)-5-oxo-3-pyrrolidinecarboxylate
The XLogP value of 3.4536 indicates that 4-Nitrobenzyl 1-(4-bromophenyl)-5-oxo-3-pyrrolidinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrobenzyl 1-(4-bromophenyl)-5-oxo-3-pyrrolidinecarboxylate. Following Lipinski's Rule of Five, 4-Nitrobenzyl 1-(4-bromophenyl)-5-oxo-3-pyrrolidinecarboxylate has 0 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-Nitrobenzyl 1-(4-bromophenyl)-5-oxo-3-pyrrolidinecarboxylate?
The CAS number of 4-Nitrobenzyl 1-(4-bromophenyl)-5-oxo-3-pyrrolidinecarboxylate is 309736-47-8.
What is the molecular formula of 4-Nitrobenzyl 1-(4-bromophenyl)-5-oxo-3-pyrrolidinecarboxylate?
The molecular formula of 4-Nitrobenzyl 1-(4-bromophenyl)-5-oxo-3-pyrrolidinecarboxylate is C18H15BrN2O5.
What is the molecular weight of 4-Nitrobenzyl 1-(4-bromophenyl)-5-oxo-3-pyrrolidinecarboxylate?
The molecular weight of 4-Nitrobenzyl 1-(4-bromophenyl)-5-oxo-3-pyrrolidinecarboxylate is 418.02 g/mol.
Where can I buy 4-Nitrobenzyl 1-(4-bromophenyl)-5-oxo-3-pyrrolidinecarboxylate?
You can request a quote for 4-Nitrobenzyl 1-(4-bromophenyl)-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 4-Nitrobenzyl 1-(4-bromophenyl)-5-oxo-3-pyrrolidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzyl 1-(4-bromophenyl)-5-oxo-3-pyrrolidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.