![methyl 2-((3aS,6aR)-3-(2H-chromen-3-yl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate structure](/static/products/121/1212300-04-3.webp)
methyl 2-((3aS,6aR)-3-(2H-chromen-3-yl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate
TL;DR: methyl 2-((3aS,6aR)-3-(2H-chromen-3-yl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate (CAS 1212300-04-3) is a chemical compound with molecular formula C22H16N2O6 and molecular weight 404.10083 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[(3aS,6aR)-3-(2H-chromen-3-yl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
Also Known As: methyl 2-((3aS,6aR)-3-(2H-chromen-3-yl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate, methyl 2-[(3aS,6aR)-3-(2H-chromen-3-yl)-4,6-dioxo-3a,4,6,6a-tetrahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate, methyl 2-[(3aS,6aR)-3-(2H-chromen-3-yl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
Technical Specifications
| Molecular Formula | C22H16N2O6 |
| Molecular Weight | 404.10083 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 94.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.10083 Da |
| Heavy Atoms | 30 |
| Complexity | 820.0 |
| SMILES | COC(=O)C1=CC=CC=C1N2C(=O)[C@@H]3[C@H](C2=O)ON=C3C4=CC5=CC=CC=C5OC4 |
| InChIKey | OXWAXOBWBQIRSJ-PKOBYXMFSA-N |
Chemical Property Profile of methyl 2-((3aS,6aR)-3-(2H-chromen-3-yl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate
Property Insights of methyl 2-((3aS,6aR)-3-(2H-chromen-3-yl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-((3aS,6aR)-3-(2H-chromen-3-yl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-((3aS,6aR)-3-(2H-chromen-3-yl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate. Following Lipinski's Rule of Five, methyl 2-((3aS,6aR)-3-(2H-chromen-3-yl)-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 methyl 2-((3aS,6aR)-3-(2H-chromen-3-yl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate?
The CAS number of methyl 2-((3aS,6aR)-3-(2H-chromen-3-yl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate is 1212300-04-3.
What is the molecular formula of methyl 2-((3aS,6aR)-3-(2H-chromen-3-yl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate?
The molecular formula of methyl 2-((3aS,6aR)-3-(2H-chromen-3-yl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate is C22H16N2O6.
What is the molecular weight of methyl 2-((3aS,6aR)-3-(2H-chromen-3-yl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate?
The molecular weight of methyl 2-((3aS,6aR)-3-(2H-chromen-3-yl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate is 404.10083 g/mol.
Where can I buy methyl 2-((3aS,6aR)-3-(2H-chromen-3-yl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate?
You can request a quote for methyl 2-((3aS,6aR)-3-(2H-chromen-3-yl)-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 methyl 2-((3aS,6aR)-3-(2H-chromen-3-yl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate?
Yes, CoreyChem provides custom synthesis services for methyl 2-((3aS,6aR)-3-(2H-chromen-3-yl)-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.