methyl 4-(3-(4-(allyloxy)benzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
TL;DR: methyl 4-(3-(4-(allyloxy)benzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 618876-89-4) is a chemical compound with molecular formula C26H22N2O7 and molecular weight 474.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3E)-3-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)-4,5-dioxopyrrolidin-2-yl]benzoate
Also Known As: methyl 4-(3-(4-(allyloxy)benzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate, methyl 4-[(3E)-3-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)-4,5-dioxopyrrolidin-2-yl]benzoate, methyl 4-[(3E)-3-{hydroxy[4-(prop-2-en-1-yloxy)phenyl]methylidene}-1-(5-methyl-1,2-oxazol-3-yl)-4,5-dioxopyrrolidin-2-yl]benzoate, methyl 4-{4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-3-[(4-prop-2-enyloxyphenyl )carbonyl]-3-pyrrolin-2-yl}benzoate
| Molecular Formula | C26H22N2O7 |
|---|---|
| Molecular Weight | 474.14 g/mol |
| LogP | 3.96072 |
| Topological Polar Surface Area | 119.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 474.1427 |
| Heavy Atoms | 35 |
| Complexity | 1320.49 |
Chemical Identifiers
| CAS Number | 618876-89-4 |
|---|---|
| SMILES | CC1=CC(=NO1)N2C(/C(=C(/C3=CC=C(C=C3)OCC=C)\O)/C(=O)C2=O)C4=CC=C(C=C4)C(=O)OC |
Product Overview
methyl 4-(3-(4-(allyloxy)benzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate (CAS 618876-89-4), with molecular formula C26H22N2O7 and molecular weight 474.14 g/mol. IUPAC: methyl 4-[(3E)-3-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(5-methyl-1,2-oxazol-3-yl)-4,5-dioxopyrrolidin-2-yl]benzoate.
Chemical Property Profile of methyl 4-(3-(4-(allyloxy)benzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
Property Insights of methyl 4-(3-(4-(allyloxy)benzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate
The XLogP value of 3.96072 indicates that methyl 4-(3-(4-(allyloxy)benzoyl)-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 119.17 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(3-(4-(allyloxy)benzoyl)-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-(4-(allyloxy)benzoyl)-4-hydroxy-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-(3-(4-(allyloxy)benzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The CAS number of methyl 4-(3-(4-(allyloxy)benzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 618876-89-4.
What is the molecular formula of methyl 4-(3-(4-(allyloxy)benzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular formula of methyl 4-(3-(4-(allyloxy)benzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is C26H22N2O7.
What is the molecular weight of methyl 4-(3-(4-(allyloxy)benzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate?
The molecular weight of methyl 4-(3-(4-(allyloxy)benzoyl)-4-hydroxy-1-(5-methylisoxazol-3-yl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate is 474.14 g/mol.
Where can I buy methyl 4-(3-(4-(allyloxy)benzoyl)-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-(4-(allyloxy)benzoyl)-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-(4-(allyloxy)benzoyl)-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-(4-(allyloxy)benzoyl)-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.