3-Benzylidene-1-phenylpyrrolidin-2-one
TL;DR: 3-Benzylidene-1-phenylpyrrolidin-2-one (CAS 85175-05-9) is a chemical compound with molecular formula C17H15NO and molecular weight 249.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylidene-1-phenylpyrrolidin-2-one
Also Known As: 3-benzylidene-1-phenylpyrrolidin-2-one, (3Z)-3-benzylidene-1-phenylpyrrolidin-2-one, 2-Pyrrolidinone,1-phenyl-3-(phenylmethylene)-
| Molecular Formula | C17H15NO |
|---|---|
| Molecular Weight | 249.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.11537 |
| Heavy Atoms | 19 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 85175-05-9 |
|---|---|
| SMILES | C1CN(C(=O)C1=CC2=CC=CC=C2)C3=CC=CC=C3 |
| InChIKey | DPIOBXNFAFLFIM-UHFFFAOYSA-N |
Product Overview
3-Benzylidene-1-phenylpyrrolidin-2-one (CAS 85175-05-9), with molecular formula C17H15NO and molecular weight 249.12 g/mol. IUPAC: 3-benzylidene-1-phenylpyrrolidin-2-one.
Chemical Property Profile of 3-Benzylidene-1-phenylpyrrolidin-2-one
Property Insights of 3-Benzylidene-1-phenylpyrrolidin-2-one
The XLogP value of 3.4 indicates that 3-Benzylidene-1-phenylpyrrolidin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 3-Benzylidene-1-phenylpyrrolidin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzylidene-1-phenylpyrrolidin-2-one has 0 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 3-Benzylidene-1-phenylpyrrolidin-2-one?
The CAS number of 3-Benzylidene-1-phenylpyrrolidin-2-one is 85175-05-9.
What is the molecular formula of 3-Benzylidene-1-phenylpyrrolidin-2-one?
The molecular formula of 3-Benzylidene-1-phenylpyrrolidin-2-one is C17H15NO.
What is the molecular weight of 3-Benzylidene-1-phenylpyrrolidin-2-one?
The molecular weight of 3-Benzylidene-1-phenylpyrrolidin-2-one is 249.12 g/mol.
Where can I buy 3-Benzylidene-1-phenylpyrrolidin-2-one?
You can request a quote for 3-Benzylidene-1-phenylpyrrolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzylidene-1-phenylpyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzylidene-1-phenylpyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.