4-Nitrobenzyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
TL;DR: 4-Nitrobenzyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate (CAS 311328-97-9) is a chemical compound with molecular formula C18H15ClN2O5 and molecular weight 374.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl)methyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
Also Known As: BAS 00524649, 4-nitrobenzyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate, (4-nitrophenyl)methyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate, 1-(4-Chloro-phenyl)-5-oxo-pyrrolidine-3-carboxylic acid 4-nitro-benzyl ester, 4-Nitrobenzyl 1-(4-chlorophenyl)-5-oxo-3-pyrrolidinecarboxylate #
| Molecular Formula | C18H15ClN2O5 |
|---|---|
| Molecular Weight | 374.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 374.06696 |
| Heavy Atoms | 26 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 311328-97-9 |
|---|---|
| SMILES | C1C(CN(C1=O)C2=CC=C(C=C2)Cl)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | WMHLGYDTZOKMCE-UHFFFAOYSA-N |
Product Overview
4-Nitrobenzyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate (CAS 311328-97-9), with molecular formula C18H15ClN2O5 and molecular weight 374.07 g/mol. IUPAC: (4-nitrophenyl)methyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate.
Chemical Property Profile of 4-Nitrobenzyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
Property Insights of 4-Nitrobenzyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrobenzyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrobenzyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate. Following Lipinski's Rule of Five, 4-Nitrobenzyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate 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-chlorophenyl)-5-oxopyrrolidine-3-carboxylate?
The CAS number of 4-Nitrobenzyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate is 311328-97-9.
What is the molecular formula of 4-Nitrobenzyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate?
The molecular formula of 4-Nitrobenzyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate is C18H15ClN2O5.
What is the molecular weight of 4-Nitrobenzyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate?
The molecular weight of 4-Nitrobenzyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate is 374.07 g/mol.
Where can I buy 4-Nitrobenzyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate?
You can request a quote for 4-Nitrobenzyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate 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-chlorophenyl)-5-oxopyrrolidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrobenzyl 1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.