1-Benzyl-2,5-dioxo-pyrrolidin-3-YL acetate
TL;DR: 1-Benzyl-2,5-dioxo-pyrrolidin-3-YL acetate (CAS 173353-34-9) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-benzyl-2,5-dioxopyrrolidin-3-yl) acetate
Also Known As: 1-BENZYL-2,5-DIOXO-PYRROLIDIN-3-YL ACETATE, 1-Benzyl-2,5-dioxopyrrolidin-3-yl acetate, (1-benzyl-2,5-dioxopyrrolidin-3-yl) acetate, 1-Benzyl-2,5-dioxopyrrolidin-3-ylacetate, (1-benzyl-2,5-dioxo-pyrrolidin-3-yl) Acetate
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 0.8772 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 483.0244 |
Chemical Identifiers
| CAS Number | 173353-34-9 |
|---|---|
| SMILES | CC(=O)OC1CC(=O)N(C1=O)CC2=CC=CC=C2 |
Product Overview
1-Benzyl-2,5-dioxo-pyrrolidin-3-YL acetate (CAS 173353-34-9), with molecular formula C13H13NO4 and molecular weight 247.08 g/mol. IUPAC: (1-benzyl-2,5-dioxopyrrolidin-3-yl) acetate.
Chemical Property Profile of 1-Benzyl-2,5-dioxo-pyrrolidin-3-YL acetate
Property Insights of 1-Benzyl-2,5-dioxo-pyrrolidin-3-YL acetate
The XLogP value of 0.8772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-2,5-dioxo-pyrrolidin-3-YL acetate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzyl-2,5-dioxo-pyrrolidin-3-YL acetate. Following Lipinski's Rule of Five, 1-Benzyl-2,5-dioxo-pyrrolidin-3-YL acetate 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 1-Benzyl-2,5-dioxo-pyrrolidin-3-YL acetate?
The CAS number of 1-Benzyl-2,5-dioxo-pyrrolidin-3-YL acetate is 173353-34-9.
What is the molecular formula of 1-Benzyl-2,5-dioxo-pyrrolidin-3-YL acetate?
The molecular formula of 1-Benzyl-2,5-dioxo-pyrrolidin-3-YL acetate is C13H13NO4.
What is the molecular weight of 1-Benzyl-2,5-dioxo-pyrrolidin-3-YL acetate?
The molecular weight of 1-Benzyl-2,5-dioxo-pyrrolidin-3-YL acetate is 247.08 g/mol.
Where can I buy 1-Benzyl-2,5-dioxo-pyrrolidin-3-YL acetate?
You can request a quote for 1-Benzyl-2,5-dioxo-pyrrolidin-3-YL acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-2,5-dioxo-pyrrolidin-3-YL acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-2,5-dioxo-pyrrolidin-3-YL acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.