![2-(2-(4-chlorophenyl)-3-(4-nitrophenyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile structure](/static/products/1005/1005089-74-6.webp)
2-(2-(4-chlorophenyl)-3-(4-nitrophenyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
TL;DR: 2-(2-(4-chlorophenyl)-3-(4-nitrophenyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile (CAS 1005089-74-6) is a chemical compound with molecular formula C26H19ClN4O5S and molecular weight 534.0765 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(4-chlorophenyl)-3-(4-nitrophenyl)-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-(2-(4-chlorophenyl)-3-(4-nitrophenyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile, 2-[2-(4-chlorophenyl)-3-(4-nitrophenyl)-4,6-dioxo-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, F1275-0041, 2-[2-(4-chlorophenyl)-3-(4-nitrophenyl)-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-(4-chlorophenyl)-3-(4-nitrophenyl)-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 | C26H19ClN4O5S |
| Molecular Weight | 534.0765 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 534.0765 Da |
| Heavy Atoms | 37 |
| Complexity | 985.0 |
| SMILES | C1CCC2=C(C1)C(=C(S2)N3C(=O)C4C(N(OC4C3=O)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)[N+](=O)[O-])C#N |
| InChIKey | ZUISLRHBEHGXKF-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2-(4-chlorophenyl)-3-(4-nitrophenyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
Property Insights of 2-(2-(4-chlorophenyl)-3-(4-nitrophenyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
The XLogP value of 5.5 indicates that 2-(2-(4-chlorophenyl)-3-(4-nitrophenyl)-4,6-dioxotetrahydro-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 148.0 Ų indicates high polarity, suggesting 2-(2-(4-chlorophenyl)-3-(4-nitrophenyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(2-(4-chlorophenyl)-3-(4-nitrophenyl)-4,6-dioxotetrahydro-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 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-(2-(4-chlorophenyl)-3-(4-nitrophenyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile?
The CAS number of 2-(2-(4-chlorophenyl)-3-(4-nitrophenyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile is 1005089-74-6.
What is the molecular formula of 2-(2-(4-chlorophenyl)-3-(4-nitrophenyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile?
The molecular formula of 2-(2-(4-chlorophenyl)-3-(4-nitrophenyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile is C26H19ClN4O5S.
What is the molecular weight of 2-(2-(4-chlorophenyl)-3-(4-nitrophenyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile?
The molecular weight of 2-(2-(4-chlorophenyl)-3-(4-nitrophenyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile is 534.0765 g/mol.
Where can I buy 2-(2-(4-chlorophenyl)-3-(4-nitrophenyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile?
You can request a quote for 2-(2-(4-chlorophenyl)-3-(4-nitrophenyl)-4,6-dioxotetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2-(4-chlorophenyl)-3-(4-nitrophenyl)-4,6-dioxotetrahydro-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-(2-(4-chlorophenyl)-3-(4-nitrophenyl)-4,6-dioxotetrahydro-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.