![2-(4,6-dioxo-2-(o-tolyl)-3-(p-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile structure](/static/products/1005/1005261-57-3.webp)
2-(4,6-dioxo-2-(o-tolyl)-3-(p-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
TL;DR: 2-(4,6-dioxo-2-(o-tolyl)-3-(p-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile (CAS 1005261-57-3) is a chemical compound with molecular formula C28H25N3O3S and molecular weight 483.16165 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Also Known As: 2-(4,6-dioxo-2-(o-tolyl)-3-(p-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile, 2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, F1312-0008, 2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, 2-[2-(2-methylphenyl)-3-(4-methylphenyl)-4,6-dioxohexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Technical Specifications
| Molecular Formula | C28H25N3O3S |
| Molecular Weight | 483.16165 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 483.16165 Da |
| Heavy Atoms | 35 |
| Complexity | 895.0 |
| SMILES | CC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=C(C5=C(S4)CCCC5)C#N)ON2C6=CC=CC=C6C |
| InChIKey | TWFMEZWEOBBCSZ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4,6-dioxo-2-(o-tolyl)-3-(p-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
Property Insights of 2-(4,6-dioxo-2-(o-tolyl)-3-(p-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
The XLogP value of 5.7 indicates that 2-(4,6-dioxo-2-(o-tolyl)-3-(p-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4,6-dioxo-2-(o-tolyl)-3-(p-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile. Following Lipinski's Rule of Five, 2-(4,6-dioxo-2-(o-tolyl)-3-(p-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-(4,6-dioxo-2-(o-tolyl)-3-(p-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile?
The CAS number of 2-(4,6-dioxo-2-(o-tolyl)-3-(p-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile is 1005261-57-3.
What is the molecular formula of 2-(4,6-dioxo-2-(o-tolyl)-3-(p-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile?
The molecular formula of 2-(4,6-dioxo-2-(o-tolyl)-3-(p-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile is C28H25N3O3S.
What is the molecular weight of 2-(4,6-dioxo-2-(o-tolyl)-3-(p-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile?
The molecular weight of 2-(4,6-dioxo-2-(o-tolyl)-3-(p-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile is 483.16165 g/mol.
Where can I buy 2-(4,6-dioxo-2-(o-tolyl)-3-(p-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile?
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Does CoreyChem offer custom synthesis for 2-(4,6-dioxo-2-(o-tolyl)-3-(p-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(4,6-dioxo-2-(o-tolyl)-3-(p-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.