![[(E)-(2-oxo-1-phenylpyrrolidin-3-ylidene)methyl] acetate structure](/static/products/100/100393-75-7.png)
[(E)-(2-oxo-1-phenylpyrrolidin-3-ylidene)methyl] acetate
TL;DR: [(E)-(2-oxo-1-phenylpyrrolidin-3-ylidene)methyl] acetate (CAS 100393-75-7) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-(2-oxo-1-phenylpyrrolidin-3-ylidene)methyl] acetate
Also Known As: BAS 00818837, 1-phenyl-3-acetoxymethylenepyrrolidin-2-one, [(E)-(2-oxo-1-phenylpyrrolidin-3-ylidene)methyl] acetate, Acetic acid 2-oxo-1-phenyl-pyrrolidin-3-ylidenemethyl ester, Acetic acid 2-oxo-1-phenyl-pyrrolidin-(3E)-ylidenemethyl ester
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 1.8703 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 464.81274 |
Chemical Identifiers
| CAS Number | 100393-75-7 |
|---|---|
| SMILES | CC(=O)O/C=C/1\CCN(C1=O)C2=CC=CC=C2 |
Product Overview
[(E)-(2-oxo-1-phenylpyrrolidin-3-ylidene)methyl] acetate (CAS 100393-75-7), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: [(E)-(2-oxo-1-phenylpyrrolidin-3-ylidene)methyl] acetate.
Chemical Property Profile of [(E)-(2-oxo-1-phenylpyrrolidin-3-ylidene)methyl] acetate
Property Insights of [(E)-(2-oxo-1-phenylpyrrolidin-3-ylidene)methyl] acetate
The XLogP value of 1.8703 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(E)-(2-oxo-1-phenylpyrrolidin-3-ylidene)methyl] acetate. With a topological polar surface area (TPSA) of 46.61 Ų, [(E)-(2-oxo-1-phenylpyrrolidin-3-ylidene)methyl] acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(E)-(2-oxo-1-phenylpyrrolidin-3-ylidene)methyl] acetate 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
Frequently Asked Questions
What is the CAS number of [(E)-(2-oxo-1-phenylpyrrolidin-3-ylidene)methyl] acetate?
The CAS number of [(E)-(2-oxo-1-phenylpyrrolidin-3-ylidene)methyl] acetate is 100393-75-7.
What is the molecular formula of [(E)-(2-oxo-1-phenylpyrrolidin-3-ylidene)methyl] acetate?
The molecular formula of [(E)-(2-oxo-1-phenylpyrrolidin-3-ylidene)methyl] acetate is C13H13NO3.
What is the molecular weight of [(E)-(2-oxo-1-phenylpyrrolidin-3-ylidene)methyl] acetate?
The molecular weight of [(E)-(2-oxo-1-phenylpyrrolidin-3-ylidene)methyl] acetate is 231.09 g/mol.
Where can I buy [(E)-(2-oxo-1-phenylpyrrolidin-3-ylidene)methyl] acetate?
You can request a quote for [(E)-(2-oxo-1-phenylpyrrolidin-3-ylidene)methyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(E)-(2-oxo-1-phenylpyrrolidin-3-ylidene)methyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [(E)-(2-oxo-1-phenylpyrrolidin-3-ylidene)methyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.