3-(2'-Methoxybenzylidene)-2-pyrrolidone
TL;DR: 3-(2'-Methoxybenzylidene)-2-pyrrolidone (CAS 1859-44-5) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methoxyphenyl)methylidene]pyrrolidin-2-one
Also Known As: 3-(2'-methoxybenzylidene)-2-pyrrolidone, 3-(2-methoxybenzylidene)pyrrolidin-2-one, 3-[(2-methoxyphenyl)methylidene]pyrrolidin-2-one
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 1859-44-5 |
|---|---|
| SMILES | COC1=CC=CC=C1C=C2CCNC2=O |
| InChIKey | WBILLHHOTJRASZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2'-Methoxybenzylidene)-2-pyrrolidone (CAS 1859-44-5), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 3-[(2-methoxyphenyl)methylidene]pyrrolidin-2-one.
Chemical Property Profile of 3-(2'-Methoxybenzylidene)-2-pyrrolidone
Property Insights of 3-(2'-Methoxybenzylidene)-2-pyrrolidone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2'-Methoxybenzylidene)-2-pyrrolidone. With a topological polar surface area (TPSA) of 38.3 Ų, 3-(2'-Methoxybenzylidene)-2-pyrrolidone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2'-Methoxybenzylidene)-2-pyrrolidone has 1 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 3-(2'-Methoxybenzylidene)-2-pyrrolidone?
The CAS number of 3-(2'-Methoxybenzylidene)-2-pyrrolidone is 1859-44-5.
What is the molecular formula of 3-(2'-Methoxybenzylidene)-2-pyrrolidone?
The molecular formula of 3-(2'-Methoxybenzylidene)-2-pyrrolidone is C12H13NO2.
What is the molecular weight of 3-(2'-Methoxybenzylidene)-2-pyrrolidone?
The molecular weight of 3-(2'-Methoxybenzylidene)-2-pyrrolidone is 203.09 g/mol.
Where can I buy 3-(2'-Methoxybenzylidene)-2-pyrrolidone?
You can request a quote for 3-(2'-Methoxybenzylidene)-2-pyrrolidone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2'-Methoxybenzylidene)-2-pyrrolidone?
Yes, KEHONG BIO provides custom synthesis services for 3-(2'-Methoxybenzylidene)-2-pyrrolidone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.