methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
TL;DR: methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 618875-37-9) is a chemical compound with molecular formula C25H22N2O8 and molecular weight 478.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3E)-3-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
Also Known As: methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate, methyl 4-[(3E)-3-[(3,4-dimethoxyphenyl)(hydroxy)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)-4,5-dioxopyrrolidin-2-yl]benzoate, methyl 4-[(3E)-3-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)-4,5-dioxopyrrolidin-2-yl]benzoate, methyl 4-{3-[(3,4-dimethoxyphenyl)carbonyl]-4-hydroxy-1-(5-methylisoxazol-3-yl )-5-oxo-3-pyrrolin-2-yl}benzoate
| Molecular Formula | C25H22N2O8 |
|---|---|
| Molecular Weight | 478.14 g/mol |
| LogP | 3.41312 |
| Topological Polar Surface Area | 128.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 478.1376 |
| Heavy Atoms | 35 |
| Complexity | 1339.7516 |
Chemical Identifiers
| CAS Number | 618875-37-9 |
|---|---|
| SMILES | CC1=CC(=NO1)N2C(/C(=C(/C3=CC(=C(C=C3)OC)OC)\O)/C(=O)C2=O)C4=CC=C(C=C4)C(=O)OC |
Product Overview
methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 618875-37-9), with molecular formula C25H22N2O8 and molecular weight 478.14 g/mol. IUPAC: methyl 4-[(3E)-3-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-1-(5-methyl-1,2-oxazol-3-yl)-4,5-dioxopyrrolidin-2-yl]benzoate.
Chemical Property Profile of methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
Property Insights of methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
The XLogP value of 3.41312 indicates that methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.4 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate has 1 hydrogen bond donor(s) and 9 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-(3,4-dimethoxybenzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The CAS number of methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 618875-37-9.
What is the molecular formula of methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular formula of methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is C25H22N2O8.
What is the molecular weight of methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular weight of methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 478.14 g/mol.
Where can I buy methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
You can request a quote for methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-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-(3,4-dimethoxybenzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(3-(3,4-dimethoxybenzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.