![methyl 4-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate structure](/static/products/618/618404-56-1.png)
methyl 4-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
TL;DR: methyl 4-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 618404-56-1) is a chemical compound with molecular formula C25H26N2O7 and molecular weight 466.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[2-(dimethylamino)ethyl]-4,5-dioxopyrrolidin-2-yl]benzoate
Also Known As: methyl 4-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate, methyl 4-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-(2-dimethylaminoethyl)-4,5-dioxopyrrolidin-2-yl]benzoate, methyl 4-{(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[2-(dimethylamino)ethyl]-4,5-dioxopyrrolidin-2-yl}benzoate, methyl 4-{3-(2H,3H-benzo[3,4-e]1,4-dioxan-6-ylcarbonyl)-1-[2-(dimethylamino)et hyl]-4-hydroxy-5-oxo-3-pyrrolin-2-yl}benzoate
| Molecular Formula | C25H26N2O7 |
|---|---|
| Molecular Weight | 466.17 g/mol |
| LogP | 2.2277 |
| Topological Polar Surface Area | 105.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.174 |
| Heavy Atoms | 34 |
| Complexity | 1154.3541 |
Chemical Identifiers
| CAS Number | 618404-56-1 |
|---|---|
| SMILES | CN(C)CCN1C(/C(=C(/C2=CC3=C(C=C2)OCCO3)\O)/C(=O)C1=O)C4=CC=C(C=C4)C(=O)OC |
Product Overview
methyl 4-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 618404-56-1), with molecular formula C25H26N2O7 and molecular weight 466.17 g/mol. IUPAC: methyl 4-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-[2-(dimethylamino)ethyl]-4,5-dioxopyrrolidin-2-yl]benzoate.
Chemical Property Profile of methyl 4-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
Property Insights of methyl 4-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
The XLogP value of 2.2277 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate. The TPSA of 105.61 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-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-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The CAS number of methyl 4-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 618404-56-1.
What is the molecular formula of methyl 4-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular formula of methyl 4-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is C25H26N2O7.
What is the molecular weight of methyl 4-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular weight of methyl 4-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 466.17 g/mol.
Where can I buy methyl 4-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
You can request a quote for methyl 4-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-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-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-1-(2-(dimethylamino)ethyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.