2-Pyrrolidinone, 3-ethyl-3-phenyl-
TL;DR: 2-Pyrrolidinone, 3-ethyl-3-phenyl- (CAS 77236-50-1) 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.
3-ethyl-3-phenylpyrrolidin-2-one
Also Known As: 3-Ethyl-3-phenyl-2-pyrrolidinone, 3-ethyl-3-phenylpyrrolidin-2-one, 3-Ethyl-3-phenyl-pyrrolidone-2, 2-Pyrrolidinone, 3-ethyl-3-phenyl-, 4-21-00-03692 (Beilstein Handbook Reference)
| Molecular Formula | C12H15NO |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 1.8543 |
| 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 | 333.43478 |
Chemical Identifiers
| CAS Number | 77236-50-1 |
|---|---|
| SMILES | CCC1(CCNC1=O)C2=CC=CC=C2 |
Product Overview
2-Pyrrolidinone, 3-ethyl-3-phenyl- (CAS 77236-50-1), with molecular formula C12H15NO and molecular weight 189.12 g/mol. IUPAC: 3-ethyl-3-phenylpyrrolidin-2-one.
Chemical Property Profile of 2-Pyrrolidinone, 3-ethyl-3-phenyl-
Property Insights of 2-Pyrrolidinone, 3-ethyl-3-phenyl-
The XLogP value of 1.8543 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pyrrolidinone, 3-ethyl-3-phenyl-. With a topological polar surface area (TPSA) of 29.1 Ų, 2-Pyrrolidinone, 3-ethyl-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyrrolidinone, 3-ethyl-3-phenyl- 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 2-Pyrrolidinone, 3-ethyl-3-phenyl-?
The CAS number of 2-Pyrrolidinone, 3-ethyl-3-phenyl- is 77236-50-1.
What is the molecular formula of 2-Pyrrolidinone, 3-ethyl-3-phenyl-?
The molecular formula of 2-Pyrrolidinone, 3-ethyl-3-phenyl- is C12H15NO.
What is the molecular weight of 2-Pyrrolidinone, 3-ethyl-3-phenyl-?
The molecular weight of 2-Pyrrolidinone, 3-ethyl-3-phenyl- is 189.12 g/mol.
Where can I buy 2-Pyrrolidinone, 3-ethyl-3-phenyl-?
You can request a quote for 2-Pyrrolidinone, 3-ethyl-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyrrolidinone, 3-ethyl-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrrolidinone, 3-ethyl-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.