![3-{[1-(3-Chlorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}phenyl acetate structure](/static/products/4332/433242-47-8.webp)
3-{[1-(3-Chlorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}phenyl acetate
TL;DR: 3-{[1-(3-Chlorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}phenyl acetate (CAS 433242-47-8) is a chemical compound with molecular formula C18H13ClN2O4 and molecular weight 356.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(Z)-[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]phenyl] acetate
Also Known As: AB00121933-01, AN-023/40839788, (Z)-3-((1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene)methyl)phenyl acetate, [3-[(Z)-[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]phenyl] acetate, 3-{[1-(3-chlorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}phenyl acetate
| Molecular Formula | C18H13ClN2O4 |
|---|---|
| Molecular Weight | 356.06 g/mol |
| LogP | 2.7267 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.0564 |
| Heavy Atoms | 25 |
| Complexity | 907.454 |
Chemical Identifiers
| CAS Number | 433242-47-8 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC(=C1)/C=C\2/C(=O)NN(C2=O)C3=CC(=CC=C3)Cl |
Product Overview
3-{[1-(3-Chlorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}phenyl acetate (CAS 433242-47-8), with molecular formula C18H13ClN2O4 and molecular weight 356.06 g/mol. IUPAC: [3-[(Z)-[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl]phenyl] acetate.
Chemical Property Profile of 3-{[1-(3-Chlorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}phenyl acetate
Property Insights of 3-{[1-(3-Chlorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}phenyl acetate
The XLogP value of 2.7267 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[1-(3-Chlorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}phenyl acetate. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[1-(3-Chlorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}phenyl acetate. Following Lipinski's Rule of Five, 3-{[1-(3-Chlorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}phenyl acetate 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 3-{[1-(3-Chlorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}phenyl acetate?
The CAS number of 3-{[1-(3-Chlorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}phenyl acetate is 433242-47-8.
What is the molecular formula of 3-{[1-(3-Chlorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}phenyl acetate?
The molecular formula of 3-{[1-(3-Chlorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}phenyl acetate is C18H13ClN2O4.
What is the molecular weight of 3-{[1-(3-Chlorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}phenyl acetate?
The molecular weight of 3-{[1-(3-Chlorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}phenyl acetate is 356.06 g/mol.
Where can I buy 3-{[1-(3-Chlorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}phenyl acetate?
You can request a quote for 3-{[1-(3-Chlorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[1-(3-Chlorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-{[1-(3-Chlorophenyl)-3,5-dioxo-4-pyrazolidinylidene]methyl}phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.