1-Methyl-2-benzoylmethylenepyrrolidine
TL;DR: 1-Methyl-2-benzoylmethylenepyrrolidine (CAS 39178-28-4) is a chemical compound with molecular formula C13H15NO and molecular weight 201.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methylpyrrolidin-2-ylidene)-1-phenylethanone
Also Known As: 1-methyl-2-benzoylmethylenepyrrolidine, 2-(1-Methylpyrrolidin-2-ylidene)-1-phenyl-ethanone, 2-(1-methylpyrrolidin-2-ylidene)-1-phenylethanone, (2Z)-2-(1-methylpyrrolidin-2-ylidene)-1-phenylethanone
| Molecular Formula | C13H15NO |
|---|---|
| Molecular Weight | 201.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.11537 |
| Heavy Atoms | 15 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 39178-28-4 |
|---|---|
| SMILES | CN1CCCC1=CC(=O)C2=CC=CC=C2 |
| InChIKey | SEGQNZAJNLFTOR-UHFFFAOYSA-N |
Product Overview
1-Methyl-2-benzoylmethylenepyrrolidine (CAS 39178-28-4), with molecular formula C13H15NO and molecular weight 201.12 g/mol. IUPAC: 2-(1-methylpyrrolidin-2-ylidene)-1-phenylethanone.
Chemical Property Profile of 1-Methyl-2-benzoylmethylenepyrrolidine
Property Insights of 1-Methyl-2-benzoylmethylenepyrrolidine
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-2-benzoylmethylenepyrrolidine. With a topological polar surface area (TPSA) of 20.3 Ų, 1-Methyl-2-benzoylmethylenepyrrolidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-2-benzoylmethylenepyrrolidine has 0 hydrogen bond donor(s) and 2 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 1-Methyl-2-benzoylmethylenepyrrolidine?
The CAS number of 1-Methyl-2-benzoylmethylenepyrrolidine is 39178-28-4.
What is the molecular formula of 1-Methyl-2-benzoylmethylenepyrrolidine?
The molecular formula of 1-Methyl-2-benzoylmethylenepyrrolidine is C13H15NO.
What is the molecular weight of 1-Methyl-2-benzoylmethylenepyrrolidine?
The molecular weight of 1-Methyl-2-benzoylmethylenepyrrolidine is 201.12 g/mol.
Where can I buy 1-Methyl-2-benzoylmethylenepyrrolidine?
You can request a quote for 1-Methyl-2-benzoylmethylenepyrrolidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-2-benzoylmethylenepyrrolidine?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-2-benzoylmethylenepyrrolidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.