![methyl 2-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)-4,5-dimethylthiophene-3-carboxylate structure](/static/products/121/1212353-95-1.webp)
methyl 2-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)-4,5-dimethylthiophene-3-carboxylate
TL;DR: methyl 2-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)-4,5-dimethylthiophene-3-carboxylate (CAS 1212353-95-1) is a chemical compound with molecular formula C19H15FN2O5S and molecular weight 402.06857 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[(3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5-dimethylthiophene-3-carboxylate
Also Known As: methyl 2-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)-4,5-dimethylthiophene-3-carboxylate, methyl 2-[(3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5-dimethylthiophene-3-carboxylate
Technical Specifications
| Molecular Formula | C19H15FN2O5S |
| Molecular Weight | 402.06857 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.06857 Da |
| Heavy Atoms | 28 |
| Complexity | 723.0 |
| SMILES | CC1=C(SC(=C1C(=O)OC)N2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=CC=C(C=C4)F)C |
| InChIKey | KIYVUJUGSROBIH-HIFRSBDPSA-N |
Chemical Property Profile of methyl 2-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)-4,5-dimethylthiophene-3-carboxylate
Property Insights of methyl 2-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)-4,5-dimethylthiophene-3-carboxylate
The XLogP value of 3.4 indicates that methyl 2-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)-4,5-dimethylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)-4,5-dimethylthiophene-3-carboxylate. Following Lipinski's Rule of Five, methyl 2-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)-4,5-dimethylthiophene-3-carboxylate 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-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)-4,5-dimethylthiophene-3-carboxylate?
The CAS number of methyl 2-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)-4,5-dimethylthiophene-3-carboxylate is 1212353-95-1.
What is the molecular formula of methyl 2-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)-4,5-dimethylthiophene-3-carboxylate?
The molecular formula of methyl 2-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)-4,5-dimethylthiophene-3-carboxylate is C19H15FN2O5S.
What is the molecular weight of methyl 2-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)-4,5-dimethylthiophene-3-carboxylate?
The molecular weight of methyl 2-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)-4,5-dimethylthiophene-3-carboxylate is 402.06857 g/mol.
Where can I buy methyl 2-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)-4,5-dimethylthiophene-3-carboxylate?
You can request a quote for methyl 2-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)-4,5-dimethylthiophene-3-carboxylate 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-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)-4,5-dimethylthiophene-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for methyl 2-((3aR,6aS)-3-(4-fluorophenyl)-4,6-dioxo-6,6a-dihydro-3aH-pyrrolo[3,4-d]isoxazol-5(4H)-yl)-4,5-dimethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.