5-Ethyl-5-phenylpyrrolidinone
TL;DR: 5-Ethyl-5-phenylpyrrolidinone (CAS 5556-57-0) is a chemical compound with molecular formula C12H15NO and molecular weight 189.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-5-phenylpyrrolidin-2-one
Also Known As: 5-Ethyl-5-phenylpyrrolidinone, 5-ethyl-5-phenylpyrrolidin-2-one, 5-ethyl-5-phenyl-2-pyrrolidinone, (-)-5-Ethyl-5-phenylpyrrolid-2-one, 5-ethyl-5-phenyl-2-pyrrolidone
| Molecular Formula | C12H15NO |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.11537 |
| Heavy Atoms | 14 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 5556-57-0 |
|---|---|
| SMILES | CCC1(CCC(=O)N1)C2=CC=CC=C2 |
| InChIKey | JTSAWYFWKYGLHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Ethyl-5-phenylpyrrolidinone (CAS 5556-57-0), with molecular formula C12H15NO and molecular weight 189.12 g/mol. IUPAC: 5-ethyl-5-phenylpyrrolidin-2-one.
Chemical Property Profile of 5-Ethyl-5-phenylpyrrolidinone
Property Insights of 5-Ethyl-5-phenylpyrrolidinone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethyl-5-phenylpyrrolidinone. With a topological polar surface area (TPSA) of 29.1 Ų, 5-Ethyl-5-phenylpyrrolidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Ethyl-5-phenylpyrrolidinone has 1 hydrogen bond donor(s) and 1 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 5-Ethyl-5-phenylpyrrolidinone?
The CAS number of 5-Ethyl-5-phenylpyrrolidinone is 5556-57-0.
What is the molecular formula of 5-Ethyl-5-phenylpyrrolidinone?
The molecular formula of 5-Ethyl-5-phenylpyrrolidinone is C12H15NO.
What is the molecular weight of 5-Ethyl-5-phenylpyrrolidinone?
The molecular weight of 5-Ethyl-5-phenylpyrrolidinone is 189.12 g/mol.
Where can I buy 5-Ethyl-5-phenylpyrrolidinone?
You can request a quote for 5-Ethyl-5-phenylpyrrolidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethyl-5-phenylpyrrolidinone?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl-5-phenylpyrrolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.