2-(2,5-Dioxopyrrolidin-1-yl)phenyl 4-nitrobenzoate
TL;DR: 2-(2,5-Dioxopyrrolidin-1-yl)phenyl 4-nitrobenzoate (CAS 331830-99-0) is a chemical compound with molecular formula C17H12N2O6 and molecular weight 340.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,5-dioxopyrrolidin-1-yl)phenyl] 4-nitrobenzoate
Also Known As: BAS 00604434, 2-(2,5-dioxopyrrolidin-1-yl)phenyl 4-nitrobenzoate, 2-(2,5-dioxo-1-pyrrolidinyl)phenyl 4-nitrobenzoate, [2-(2,5-dioxopyrrolidin-1-yl)phenyl] 4-nitrobenzoate, 4-Nitro-benzoic acid 2-(2,5-dioxo-pyrrolidin-1-yl)-phenyl ester
| Molecular Formula | C17H12N2O6 |
|---|---|
| Molecular Weight | 340.07 g/mol |
| LogP | 2.4674 |
| Topological Polar Surface Area | 106.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.06955 |
| Heavy Atoms | 25 |
| Complexity | 858.96173 |
Chemical Identifiers
| CAS Number | 331830-99-0 |
|---|---|
| SMILES | C1CC(=O)N(C1=O)C2=CC=CC=C2OC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-(2,5-Dioxopyrrolidin-1-yl)phenyl 4-nitrobenzoate (CAS 331830-99-0), with molecular formula C17H12N2O6 and molecular weight 340.07 g/mol. IUPAC: [2-(2,5-dioxopyrrolidin-1-yl)phenyl] 4-nitrobenzoate.
Chemical Property Profile of 2-(2,5-Dioxopyrrolidin-1-yl)phenyl 4-nitrobenzoate
Property Insights of 2-(2,5-Dioxopyrrolidin-1-yl)phenyl 4-nitrobenzoate
The XLogP value of 2.4674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,5-Dioxopyrrolidin-1-yl)phenyl 4-nitrobenzoate. The TPSA of 106.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,5-Dioxopyrrolidin-1-yl)phenyl 4-nitrobenzoate. Following Lipinski's Rule of Five, 2-(2,5-Dioxopyrrolidin-1-yl)phenyl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 6 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-(2,5-Dioxopyrrolidin-1-yl)phenyl 4-nitrobenzoate?
The CAS number of 2-(2,5-Dioxopyrrolidin-1-yl)phenyl 4-nitrobenzoate is 331830-99-0.
What is the molecular formula of 2-(2,5-Dioxopyrrolidin-1-yl)phenyl 4-nitrobenzoate?
The molecular formula of 2-(2,5-Dioxopyrrolidin-1-yl)phenyl 4-nitrobenzoate is C17H12N2O6.
What is the molecular weight of 2-(2,5-Dioxopyrrolidin-1-yl)phenyl 4-nitrobenzoate?
The molecular weight of 2-(2,5-Dioxopyrrolidin-1-yl)phenyl 4-nitrobenzoate is 340.07 g/mol.
Where can I buy 2-(2,5-Dioxopyrrolidin-1-yl)phenyl 4-nitrobenzoate?
You can request a quote for 2-(2,5-Dioxopyrrolidin-1-yl)phenyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,5-Dioxopyrrolidin-1-yl)phenyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,5-Dioxopyrrolidin-1-yl)phenyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.