![Methyl 4-{[1-(4-ethylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}benzoate structure](/static/products/4256/425657-30-3.webp)
Methyl 4-{[1-(4-ethylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}benzoate
TL;DR: Methyl 4-{[1-(4-ethylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}benzoate (CAS 425657-30-3) is a chemical compound with molecular formula C20H18N2O4 and molecular weight 350.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[1-(4-ethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]benzoate
Also Known As: AN-465/14763250, methyl 4-{[1-(4-ethylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}benzoate, methyl 4-[(Z)-[1-(4-ethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]benzoate, (Z)-methyl 4-((1-(4-ethylphenyl)-3,5-dioxopyrazolidin-4-ylidene)methyl)benzoate, methyl 4-{(Z)-[1-(4-ethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}benzoate
| Molecular Formula | C20H18N2O4 |
|---|---|
| Molecular Weight | 350.13 g/mol |
| LogP | 2.497 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.12665 |
| Heavy Atoms | 26 |
| Complexity | 883.0321 |
Chemical Identifiers
| CAS Number | 425657-30-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)C(=O)OC)/C(=O)N2 |
Product Overview
Methyl 4-{[1-(4-ethylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}benzoate (CAS 425657-30-3), with molecular formula C20H18N2O4 and molecular weight 350.13 g/mol. IUPAC: methyl 4-[(Z)-[1-(4-ethylphenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]benzoate.
Chemical Property Profile of Methyl 4-{[1-(4-ethylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}benzoate
Property Insights of Methyl 4-{[1-(4-ethylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}benzoate
The XLogP value of 2.497 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-{[1-(4-ethylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}benzoate. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{[1-(4-ethylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}benzoate. Following Lipinski's Rule of Five, Methyl 4-{[1-(4-ethylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}benzoate 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 Methyl 4-{[1-(4-ethylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}benzoate?
The CAS number of Methyl 4-{[1-(4-ethylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}benzoate is 425657-30-3.
What is the molecular formula of Methyl 4-{[1-(4-ethylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}benzoate?
The molecular formula of Methyl 4-{[1-(4-ethylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}benzoate is C20H18N2O4.
What is the molecular weight of Methyl 4-{[1-(4-ethylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}benzoate?
The molecular weight of Methyl 4-{[1-(4-ethylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}benzoate is 350.13 g/mol.
Where can I buy Methyl 4-{[1-(4-ethylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}benzoate?
You can request a quote for Methyl 4-{[1-(4-ethylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-{[1-(4-ethylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[1-(4-ethylphenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.