![methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate structure](/static/products/5779/577982-43-5.webp)
methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-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-(3-methoxypropyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate (CAS 577982-43-5) is a chemical compound with molecular formula C25H25NO8 and molecular weight 467.16 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-(3-methoxypropyl)-4,5-dioxopyrrolidin-2-yl]benzoate
Also Known As: methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate, methyl 4-[3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(3-methoxypropyl)-4,5-dioxopyrrolidin-2-yl]benzoate
| Molecular Formula | C25H25NO8 |
|---|---|
| Molecular Weight | 467.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 467.15802 |
| Heavy Atoms | 34 |
| Complexity | 803.0 |
Chemical Identifiers
| CAS Number | 577982-43-5 |
|---|---|
| SMILES | COCCCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)O)C(=O)C1=O)C4=CC=C(C=C4)C(=O)OC |
| InChIKey | BGEZUTGISTYHNM-UHFFFAOYSA-N |
Product Overview
methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate (CAS 577982-43-5), with molecular formula C25H25NO8 and molecular weight 467.16 g/mol. IUPAC: methyl 4-[3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(3-methoxypropyl)-4,5-dioxopyrrolidin-2-yl]benzoate.
Chemical Property Profile of methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-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-(3-methoxypropyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-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-(3-methoxypropyl)-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-(3-methoxypropyl)-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-(3-methoxypropyl)-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-(3-methoxypropyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate is 577982-43-5.
What is the molecular formula of methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-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-(3-methoxypropyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate is C25H25NO8.
What is the molecular weight of methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-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-(3-methoxypropyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate is 467.16 g/mol.
Where can I buy methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-1-(3-methoxypropyl)-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-(3-methoxypropyl)-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-(3-methoxypropyl)-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-(3-methoxypropyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.