![methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate structure](/static/products/6205/620573-76-4.webp)
methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
TL;DR: methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate (CAS 620573-76-4) is a chemical compound with molecular formula C24H23NO8 and molecular weight 453.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(2-methoxyethyl)-4,5-dioxopyrrolidin-2-yl]benzoate
Also Known As: methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate, methyl 4-[3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(2-methoxyethyl)-4,5-dioxopyrrolidin-2-yl]benzoate
| Molecular Formula | C24H23NO8 |
|---|---|
| Molecular Weight | 453.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.14236 |
| Heavy Atoms | 33 |
| Complexity | 787.0 |
Chemical Identifiers
| CAS Number | 620573-76-4 |
|---|---|
| SMILES | COCCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)O)C(=O)C1=O)C4=CC=C(C=C4)C(=O)OC |
| InChIKey | PGCYODCIHLEOEM-UHFFFAOYSA-N |
Product Overview
methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate (CAS 620573-76-4), with molecular formula C24H23NO8 and molecular weight 453.14 g/mol. IUPAC: methyl 4-[3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(2-methoxyethyl)-4,5-dioxopyrrolidin-2-yl]benzoate.
Chemical Property Profile of methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
Property Insights of methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate. Following Lipinski's Rule of Five, methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate has 1 hydrogen bond donor(s) and 8 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-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate?
The CAS number of methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate is 620573-76-4.
What is the molecular formula of methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate?
The molecular formula of methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate is C24H23NO8.
What is the molecular weight of methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate?
The molecular weight of methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate is 453.14 g/mol.
Where can I buy methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate?
You can request a quote for methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]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-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-(2-methoxyethyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.