![methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(2-phenylethyl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate structure](/static/products/5855/585553-80-6.webp)
methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(2-phenylethyl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate
TL;DR: methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(2-phenylethyl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate (CAS 585553-80-6) is a chemical compound with molecular formula C29H25NO7 and molecular weight 499.16 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]-4,5-dioxo-1-(2-phenylethyl)pyrrolidin-2-yl]benzoate
Also Known As: methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(2-phenylethyl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate, methyl 4-[3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxo-1-phenethylpyrrolidin-2-yl]benzoate
| Molecular Formula | C29H25NO7 |
|---|---|
| Molecular Weight | 499.16 g/mol |
| LogP | 3.9088 |
| Topological Polar Surface Area | 102.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.16312 |
| Heavy Atoms | 37 |
| Complexity | 1379.1239 |
Chemical Identifiers
| CAS Number | 585553-80-6 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCC5=CC=CC=C5 |
Product Overview
methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(2-phenylethyl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate (CAS 585553-80-6), with molecular formula C29H25NO7 and molecular weight 499.16 g/mol. IUPAC: methyl 4-[3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxo-1-(2-phenylethyl)pyrrolidin-2-yl]benzoate.
Chemical Property Profile of methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(2-phenylethyl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate
Property Insights of methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(2-phenylethyl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate
The XLogP value of 3.9088 indicates that methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(2-phenylethyl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.37 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-5-oxo-1-(2-phenylethyl)-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-5-oxo-1-(2-phenylethyl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate has 1 hydrogen bond donor(s) and 7 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-5-oxo-1-(2-phenylethyl)-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-5-oxo-1-(2-phenylethyl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate is 585553-80-6.
What is the molecular formula of methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(2-phenylethyl)-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-5-oxo-1-(2-phenylethyl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate is C29H25NO7.
What is the molecular weight of methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(2-phenylethyl)-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-5-oxo-1-(2-phenylethyl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate is 499.16 g/mol.
Where can I buy methyl 4-[3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxy-5-oxo-1-(2-phenylethyl)-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-5-oxo-1-(2-phenylethyl)-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-5-oxo-1-(2-phenylethyl)-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-5-oxo-1-(2-phenylethyl)-2,5-dihydro-1H-pyrrol-2-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.