methyl 4-(4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
TL;DR: methyl 4-(4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 618872-58-5) is a chemical compound with molecular formula C22H18N2O7 and molecular weight 422.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-2H-pyrrol-2-yl]benzoate
Also Known As: methyl 4-(4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate, methyl 4-[4-hydroxy-1-(5-methyl-1,2-oxazol-3-yl)-3-(5-methylfuran-2-carbonyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate, methyl 4-[4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-2H-pyrrol-2-yl]benzoate, methyl 4-[(3E)-3-[hydroxy(5-methylfuran-2-yl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)-4,5-dioxopyrrolidin-2-yl]benzoate, methyl 4-{4-hydroxy-3-[(5-methyl(2-furyl))carbonyl]-1-(5-methylisoxazol-3-yl)- 5-oxo-3-pyrrolin-2-yl}benzoate
| Molecular Formula | C22H18N2O7 |
|---|---|
| Molecular Weight | 422.11 g/mol |
| LogP | 3.45394 |
| Topological Polar Surface Area | 123.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.1114 |
| Heavy Atoms | 31 |
| Complexity | 1216.7275 |
Chemical Identifiers
| CAS Number | 618872-58-5 |
|---|---|
| SMILES | CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)C(=O)OC)C4=NOC(=C4)C)O |
Product Overview
methyl 4-(4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 618872-58-5), with molecular formula C22H18N2O7 and molecular weight 422.11 g/mol. IUPAC: methyl 4-[4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-5-oxo-2H-pyrrol-2-yl]benzoate.
Chemical Property Profile of methyl 4-(4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
Property Insights of methyl 4-(4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
The XLogP value of 3.45394 indicates that methyl 4-(4-hydroxy-3-(5-methylfuran-2-carbonyl)-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 123.08 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-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-(4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The CAS number of methyl 4-(4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 618872-58-5.
What is the molecular formula of methyl 4-(4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular formula of methyl 4-(4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is C22H18N2O7.
What is the molecular weight of methyl 4-(4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular weight of methyl 4-(4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 422.11 g/mol.
Where can I buy methyl 4-(4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
You can request a quote for methyl 4-(4-hydroxy-3-(5-methylfuran-2-carbonyl)-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-(4-hydroxy-3-(5-methylfuran-2-carbonyl)-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-(4-hydroxy-3-(5-methylfuran-2-carbonyl)-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.