![ethyl 4-[4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate structure](/static/products/6513/6513-93-5.webp)
ethyl 4-[4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate
TL;DR: ethyl 4-[4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate (CAS 6513-93-5) is a chemical compound with molecular formula C20H15ClN2O6 and molecular weight 414.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate
Also Known As: ethyl 4-[4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate, Ethyl 4-[4-[(6-chlorobenzo[1,3]dioxol-5-yl)methylidene]-3,5-dioxo-pyrazolidin-1-yl]benzoate, Ethyl 4-{4-[(6-chloro-2H-1,3-benzodioxol-5-yl)methylidene]-3,5-dioxopyrazolidin-1-yl}benzoate
| Molecular Formula | C20H15ClN2O6 |
|---|---|
| Molecular Weight | 414.06 g/mol |
| LogP | 2.7068 |
| Topological Polar Surface Area | 94.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.06186 |
| Heavy Atoms | 29 |
| Complexity | 1047.6821 |
Chemical Identifiers
| CAS Number | 6513-93-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(C=C3Cl)OCO4)C(=O)N2 |
Product Overview
ethyl 4-[4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate (CAS 6513-93-5), with molecular formula C20H15ClN2O6 and molecular weight 414.06 g/mol. IUPAC: ethyl 4-[4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate.
Chemical Property Profile of ethyl 4-[4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate
Property Insights of ethyl 4-[4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate
The XLogP value of 2.7068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate. The TPSA of 94.17 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate. Following Lipinski's Rule of Five, ethyl 4-[4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate has 1 hydrogen bond donor(s) and 6 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 ethyl 4-[4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate?
The CAS number of ethyl 4-[4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate is 6513-93-5.
What is the molecular formula of ethyl 4-[4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate?
The molecular formula of ethyl 4-[4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate is C20H15ClN2O6.
What is the molecular weight of ethyl 4-[4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate?
The molecular weight of ethyl 4-[4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate is 414.06 g/mol.
Where can I buy ethyl 4-[4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate?
You can request a quote for ethyl 4-[4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.