![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.png)
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 402.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C19H15FN2O5S |
|---|---|
| Molecular Weight | 402.07 g/mol |
| LogP | 2.58314 |
| Topological Polar Surface Area | 85.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.06857 |
| Heavy Atoms | 28 |
| Complexity | 1043.3386 |
Chemical Identifiers
| CAS Number | 1212353-95-1 |
|---|---|
| SMILES | CC1=C(SC(=C1C(=O)OC)N2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=CC=C(C=C4)F)C |
Product Overview
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), with molecular formula C19H15FN2O5S and molecular weight 402.07 g/mol. IUPAC: 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.
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 2.58314 suggests moderate lipophilicity, balancing water solubility and membrane permeability 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. The TPSA of 85.27 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 7 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 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 402.07 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO 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, KEHONG BIO 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.