Benzoyl-1,4-dipyrrolidinone
TL;DR: Benzoyl-1,4-dipyrrolidinone (CAS 114683-04-4) is a chemical compound with molecular formula C16H16N2O4 and molecular weight 300.111 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(2-oxopyrrolidine-1-carbonyl)benzoyl]pyrrolidin-2-one
Also Known As: Benzoyl-1,4-dipyrrolidinone, N,N'-Terephthaloyldipyrrolidone, p-Benzoyl-1,4-dipyrrolidinone, N,N'-Terephthaloylbis(pyrrolidone), KST-1A9929
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H16N2O4 |
| Molecular Weight | 300.111 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.111 Da |
| Heavy Atoms | 22 |
| Complexity | 462.0 |
| SMILES | C1CC(=O)N(C1)C(=O)C2=CC=C(C=C2)C(=O)N3CCCC3=O |
| InChIKey | GGAVJLYKYINLJT-UHFFFAOYSA-N |
Chemical Property Profile of Benzoyl-1,4-dipyrrolidinone
Property Insights of Benzoyl-1,4-dipyrrolidinone
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoyl-1,4-dipyrrolidinone. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoyl-1,4-dipyrrolidinone. Following Lipinski's Rule of Five, Benzoyl-1,4-dipyrrolidinone 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
What is the CAS number of Benzoyl-1,4-dipyrrolidinone?
The CAS number of Benzoyl-1,4-dipyrrolidinone is 114683-04-4.
What is the molecular formula of Benzoyl-1,4-dipyrrolidinone?
The molecular formula of Benzoyl-1,4-dipyrrolidinone is C16H16N2O4.
What is the molecular weight of Benzoyl-1,4-dipyrrolidinone?
The molecular weight of Benzoyl-1,4-dipyrrolidinone is 300.111 g/mol.
Where can I buy Benzoyl-1,4-dipyrrolidinone?
You can request a quote for Benzoyl-1,4-dipyrrolidinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoyl-1,4-dipyrrolidinone?
Yes, CoreyChem provides custom synthesis services for Benzoyl-1,4-dipyrrolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.