![Ethyl 4-[4-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylene]-3,5-dioxo-1-pyrazolidinyl]benzoate structure](/static/products/4320/432017-41-9.webp)
Ethyl 4-[4-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylene]-3,5-dioxo-1-pyrazolidinyl]benzoate
TL;DR: Ethyl 4-[4-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylene]-3,5-dioxo-1-pyrazolidinyl]benzoate (CAS 432017-41-9) is a chemical compound with molecular formula C20H17ClN2O6 and molecular weight 416.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate
Also Known As: Ethyl 4-[4-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylene]-3,5-dioxo-1-pyrazolidinyl]benzoate, ethyl 4-[4-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate, Ethyl 4-{4-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-3,5-dioxopyrazolidin-1-yl}benzoate
| Molecular Formula | C20H17ClN2O6 |
|---|---|
| Molecular Weight | 416.08 g/mol |
| LogP | 2.6923 |
| Topological Polar Surface Area | 105.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.0775 |
| Heavy Atoms | 29 |
| Complexity | 1016.37665 |
Chemical Identifiers
| CAS Number | 432017-41-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=C(C(=CC(=C3)Cl)OC)O)C(=O)N2 |
Product Overview
Ethyl 4-[4-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylene]-3,5-dioxo-1-pyrazolidinyl]benzoate (CAS 432017-41-9), with molecular formula C20H17ClN2O6 and molecular weight 416.08 g/mol. IUPAC: ethyl 4-[4-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoate.
Chemical Property Profile of Ethyl 4-[4-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylene]-3,5-dioxo-1-pyrazolidinyl]benzoate
Property Insights of Ethyl 4-[4-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylene]-3,5-dioxo-1-pyrazolidinyl]benzoate
The XLogP value of 2.6923 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[4-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylene]-3,5-dioxo-1-pyrazolidinyl]benzoate. The TPSA of 105.17 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[4-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylene]-3,5-dioxo-1-pyrazolidinyl]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[4-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylene]-3,5-dioxo-1-pyrazolidinyl]benzoate has 2 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-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylene]-3,5-dioxo-1-pyrazolidinyl]benzoate?
The CAS number of Ethyl 4-[4-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylene]-3,5-dioxo-1-pyrazolidinyl]benzoate is 432017-41-9.
What is the molecular formula of Ethyl 4-[4-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylene]-3,5-dioxo-1-pyrazolidinyl]benzoate?
The molecular formula of Ethyl 4-[4-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylene]-3,5-dioxo-1-pyrazolidinyl]benzoate is C20H17ClN2O6.
What is the molecular weight of Ethyl 4-[4-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylene]-3,5-dioxo-1-pyrazolidinyl]benzoate?
The molecular weight of Ethyl 4-[4-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylene]-3,5-dioxo-1-pyrazolidinyl]benzoate is 416.08 g/mol.
Where can I buy Ethyl 4-[4-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylene]-3,5-dioxo-1-pyrazolidinyl]benzoate?
You can request a quote for Ethyl 4-[4-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylene]-3,5-dioxo-1-pyrazolidinyl]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-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylene]-3,5-dioxo-1-pyrazolidinyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[4-[(5-chloro-2-hydroxy-3-methoxyphenyl)methylene]-3,5-dioxo-1-pyrazolidinyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.