![ethyl 4-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate structure](/static/products/121/1212182-07-4.webp)
ethyl 4-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate
TL;DR: ethyl 4-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate (CAS 1212182-07-4) is a chemical compound with molecular formula C20H15FN2O5 and molecular weight 382.0965 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[(3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
Also Known As: ethyl 4-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate, ethyl 4-[(3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
Technical Specifications
| Molecular Formula | C20H15FN2O5 |
| Molecular Weight | 382.0965 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 85.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 382.0965 Da |
| Heavy Atoms | 28 |
| Complexity | 680.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=CC=C(C=C4)F |
| InChIKey | SCJUYRNNRXKUMA-WBVHZDCISA-N |
Chemical Property Profile of ethyl 4-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate
Property Insights of ethyl 4-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate
The XLogP value of 3.0 indicates that ethyl 4-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate. Following Lipinski's Rule of Five, ethyl 4-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ethyl 4-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate?
The CAS number of ethyl 4-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate is 1212182-07-4.
What is the molecular formula of ethyl 4-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate?
The molecular formula of ethyl 4-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate is C20H15FN2O5.
What is the molecular weight of ethyl 4-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate?
The molecular weight of ethyl 4-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate is 382.0965 g/mol.
Where can I buy ethyl 4-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate?
You can request a quote for ethyl 4-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 4-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate?
Yes, CoreyChem provides custom synthesis services for ethyl 4-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.