![methyl 2-((3aR,6aS)-3-(4-nitrophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate structure](/static/products/121/1212171-39-5.webp)
methyl 2-((3aR,6aS)-3-(4-nitrophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate
TL;DR: methyl 2-((3aR,6aS)-3-(4-nitrophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate (CAS 1212171-39-5) is a chemical compound with molecular formula C19H13N3O7 and molecular weight 395.07535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[(3aR,6aS)-3-(4-nitrophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
Also Known As: methyl 2-((3aR,6aS)-3-(4-nitrophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate, methyl 2-[(3aR,6aS)-3-(4-nitrophenyl)-4,6-dioxo-3a,4,6,6a-tetrahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate, methyl 2-[(3aR,6aS)-3-(4-nitrophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]benzoate
Technical Specifications
| Molecular Formula | C19H13N3O7 |
| Molecular Weight | 395.07535 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.07535 Da |
| Heavy Atoms | 29 |
| Complexity | 753.0 |
| SMILES | COC(=O)C1=CC=CC=C1N2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | MMMQHJFAHMNBHD-ZBFHGGJFSA-N |
Chemical Property Profile of methyl 2-((3aR,6aS)-3-(4-nitrophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate
Property Insights of methyl 2-((3aR,6aS)-3-(4-nitrophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-((3aR,6aS)-3-(4-nitrophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-((3aR,6aS)-3-(4-nitrophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate. Following Lipinski's Rule of Five, methyl 2-((3aR,6aS)-3-(4-nitrophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate has 0 hydrogen bond donor(s) and 8 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-((3aR,6aS)-3-(4-nitrophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate?
The CAS number of methyl 2-((3aR,6aS)-3-(4-nitrophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate is 1212171-39-5.
What is the molecular formula of methyl 2-((3aR,6aS)-3-(4-nitrophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate?
The molecular formula of methyl 2-((3aR,6aS)-3-(4-nitrophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate is C19H13N3O7.
What is the molecular weight of methyl 2-((3aR,6aS)-3-(4-nitrophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate?
The molecular weight of methyl 2-((3aR,6aS)-3-(4-nitrophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate is 395.07535 g/mol.
Where can I buy methyl 2-((3aR,6aS)-3-(4-nitrophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)benzoate?
You can request a quote for methyl 2-((3aR,6aS)-3-(4-nitrophenyl)-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-((3aR,6aS)-3-(4-nitrophenyl)-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-((3aR,6aS)-3-(4-nitrophenyl)-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.