(4E)-4-(2,3-dimethoxybenzylidene)-1-phenylpyrazolidine-3,5-dione
TL;DR: (4E)-4-(2,3-dimethoxybenzylidene)-1-phenylpyrazolidine-3,5-dione (CAS 328970-48-5) is a chemical compound with molecular formula C18H16N2O4 and molecular weight 324.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(2,3-dimethoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione
Also Known As: BIM-0039596.P001, (4E)-4-(2,3-dimethoxybenzylidene)-1-phenylpyrazolidine-3,5-dione, (4E)-4-[(2,3-dimethoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione, 4-(2,3-dimethoxybenzylidene)-5-hydroxy-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C18H16N2O4 |
|---|---|
| Molecular Weight | 324.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.111 |
| Heavy Atoms | 24 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 328970-48-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)/C=C/2\C(=O)NN(C2=O)C3=CC=CC=C3 |
| InChIKey | QYKFXJGSUZEMRR-SDNWHVSQSA-N |
Product Overview
(4E)-4-(2,3-dimethoxybenzylidene)-1-phenylpyrazolidine-3,5-dione (CAS 328970-48-5), with molecular formula C18H16N2O4 and molecular weight 324.11 g/mol. IUPAC: (4E)-4-[(2,3-dimethoxyphenyl)methylidene]-1-phenylpyrazolidine-3,5-dione.
Chemical Property Profile of (4E)-4-(2,3-dimethoxybenzylidene)-1-phenylpyrazolidine-3,5-dione
Property Insights of (4E)-4-(2,3-dimethoxybenzylidene)-1-phenylpyrazolidine-3,5-dione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4E)-4-(2,3-dimethoxybenzylidene)-1-phenylpyrazolidine-3,5-dione. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-4-(2,3-dimethoxybenzylidene)-1-phenylpyrazolidine-3,5-dione. Following Lipinski's Rule of Five, (4E)-4-(2,3-dimethoxybenzylidene)-1-phenylpyrazolidine-3,5-dione has 1 hydrogen bond donor(s) and 4 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 (4E)-4-(2,3-dimethoxybenzylidene)-1-phenylpyrazolidine-3,5-dione?
The CAS number of (4E)-4-(2,3-dimethoxybenzylidene)-1-phenylpyrazolidine-3,5-dione is 328970-48-5.
What is the molecular formula of (4E)-4-(2,3-dimethoxybenzylidene)-1-phenylpyrazolidine-3,5-dione?
The molecular formula of (4E)-4-(2,3-dimethoxybenzylidene)-1-phenylpyrazolidine-3,5-dione is C18H16N2O4.
What is the molecular weight of (4E)-4-(2,3-dimethoxybenzylidene)-1-phenylpyrazolidine-3,5-dione?
The molecular weight of (4E)-4-(2,3-dimethoxybenzylidene)-1-phenylpyrazolidine-3,5-dione is 324.11 g/mol.
Where can I buy (4E)-4-(2,3-dimethoxybenzylidene)-1-phenylpyrazolidine-3,5-dione?
You can request a quote for (4E)-4-(2,3-dimethoxybenzylidene)-1-phenylpyrazolidine-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-4-(2,3-dimethoxybenzylidene)-1-phenylpyrazolidine-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-(2,3-dimethoxybenzylidene)-1-phenylpyrazolidine-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.