4-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzoate
TL;DR: 4-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzoate (CAS 331865-75-9) is a chemical compound with molecular formula C17H13NO4 and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2,5-dioxopyrrolidin-1-yl)phenyl] benzoate
Also Known As: 4-(2,5-dioxo-1-pyrrolidinyl)phenyl benzoate, [4-(2,5-dioxopyrrolidin-1-yl)phenyl] benzoate, 4-(2,5-dioxopyrrolidin-1-yl)phenyl benzoate, BAS 00648923, Benzoic acid 4-(2,5-dioxo-pyrrolidin-1-yl)-phenyl ester
| Molecular Formula | C17H13NO4 |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 2.5592 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.08447 |
| Heavy Atoms | 22 |
| Complexity | 706.084 |
Chemical Identifiers
| CAS Number | 331865-75-9 |
|---|---|
| SMILES | C1CC(=O)N(C1=O)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3 |
Product Overview
4-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzoate (CAS 331865-75-9), with molecular formula C17H13NO4 and molecular weight 295.08 g/mol. IUPAC: [4-(2,5-dioxopyrrolidin-1-yl)phenyl] benzoate.
Chemical Property Profile of 4-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzoate
Property Insights of 4-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzoate
The XLogP value of 2.5592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzoate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzoate. Following Lipinski's Rule of Five, 4-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzoate 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 4-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzoate?
The CAS number of 4-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzoate is 331865-75-9.
What is the molecular formula of 4-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzoate?
The molecular formula of 4-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzoate is C17H13NO4.
What is the molecular weight of 4-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzoate?
The molecular weight of 4-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzoate is 295.08 g/mol.
Where can I buy 4-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzoate?
You can request a quote for 4-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-Dioxo-1-pyrrolidinyl)phenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.