Tert-butyl 4-oxo-2-phenylpyrrolidine-1-carboxylate
TL;DR: Tert-butyl 4-oxo-2-phenylpyrrolidine-1-carboxylate (CAS 1012369-72-0) is a chemical compound with molecular formula C15H19NO3 and molecular weight 261.1365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 4-oxo-2-phenylpyrrolidine-1-carboxylate
Also Known As: tert-butyl 4-oxo-2-phenylpyrrolidine-1-carboxylate, (S)-tert-Butyl 4-oxo-2-phenylpyrrolidine-1-carboxylate, (R)-tert-Butyl 4-oxo-2-phenylpyrrolidine-1-carboxylate, tert-butyl4-oxo-2-phenylpyrrolidine-1-carboxylate, tert-Butyl (2R)-2-Phenyl-4-oxopyrrolidine-1-carboxylate
Technical Specifications
| Molecular Formula | C15H19NO3 |
| Molecular Weight | 261.1365 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.1365 Da |
| Heavy Atoms | 19 |
| Complexity | 353.0 |
| SMILES | CC(C)(C)OC(=O)N1CC(=O)CC1C2=CC=CC=C2 |
| InChIKey | RDNNEKXIEMELDH-UHFFFAOYSA-N |
Chemical Property Profile of Tert-butyl 4-oxo-2-phenylpyrrolidine-1-carboxylate
Property Insights of Tert-butyl 4-oxo-2-phenylpyrrolidine-1-carboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 4-oxo-2-phenylpyrrolidine-1-carboxylate. With a topological polar surface area (TPSA) of 46.6 Ų, Tert-butyl 4-oxo-2-phenylpyrrolidine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 4-oxo-2-phenylpyrrolidine-1-carboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Tert-butyl 4-oxo-2-phenylpyrrolidine-1-carboxylate?
The CAS number of Tert-butyl 4-oxo-2-phenylpyrrolidine-1-carboxylate is 1012369-72-0.
What is the molecular formula of Tert-butyl 4-oxo-2-phenylpyrrolidine-1-carboxylate?
The molecular formula of Tert-butyl 4-oxo-2-phenylpyrrolidine-1-carboxylate is C15H19NO3.
What is the molecular weight of Tert-butyl 4-oxo-2-phenylpyrrolidine-1-carboxylate?
The molecular weight of Tert-butyl 4-oxo-2-phenylpyrrolidine-1-carboxylate is 261.1365 g/mol.
Where can I buy Tert-butyl 4-oxo-2-phenylpyrrolidine-1-carboxylate?
You can request a quote for Tert-butyl 4-oxo-2-phenylpyrrolidine-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tert-butyl 4-oxo-2-phenylpyrrolidine-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for Tert-butyl 4-oxo-2-phenylpyrrolidine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.