![4-(4,6-dioxo-2-phenyl-3-(2,3,4-trimethoxyphenyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile structure](/static/products/102/1022490-74-9.webp)
4-(4,6-dioxo-2-phenyl-3-(2,3,4-trimethoxyphenyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile
TL;DR: 4-(4,6-dioxo-2-phenyl-3-(2,3,4-trimethoxyphenyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile (CAS 1022490-74-9) is a chemical compound with molecular formula C27H23N3O6 and molecular weight 485.1587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4,6-dioxo-2-phenyl-3-(2,3,4-trimethoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzonitrile
Also Known As: 4-(4,6-dioxo-2-phenyl-3-(2,3,4-trimethoxyphenyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile, 4-[4,6-dioxo-2-phenyl-3-(2,3,4-trimethoxyphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzonitrile, 4-[4,6-dioxo-2-phenyl-3-(2,3,4-trimethoxyphenyl)hexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzonitrile
Technical Specifications
| Molecular Formula | C27H23N3O6 |
| Molecular Weight | 485.1587 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.1587 Da |
| Heavy Atoms | 36 |
| Complexity | 861.0 |
| SMILES | COC1=C(C(=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)C#N)ON2C5=CC=CC=C5)OC)OC |
| InChIKey | PLRXHJNRIGJJLF-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4,6-dioxo-2-phenyl-3-(2,3,4-trimethoxyphenyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile
Property Insights of 4-(4,6-dioxo-2-phenyl-3-(2,3,4-trimethoxyphenyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile
The XLogP value of 3.7 indicates that 4-(4,6-dioxo-2-phenyl-3-(2,3,4-trimethoxyphenyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4,6-dioxo-2-phenyl-3-(2,3,4-trimethoxyphenyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile. Following Lipinski's Rule of Five, 4-(4,6-dioxo-2-phenyl-3-(2,3,4-trimethoxyphenyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile 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 4-(4,6-dioxo-2-phenyl-3-(2,3,4-trimethoxyphenyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile?
The CAS number of 4-(4,6-dioxo-2-phenyl-3-(2,3,4-trimethoxyphenyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile is 1022490-74-9.
What is the molecular formula of 4-(4,6-dioxo-2-phenyl-3-(2,3,4-trimethoxyphenyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile?
The molecular formula of 4-(4,6-dioxo-2-phenyl-3-(2,3,4-trimethoxyphenyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile is C27H23N3O6.
What is the molecular weight of 4-(4,6-dioxo-2-phenyl-3-(2,3,4-trimethoxyphenyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile?
The molecular weight of 4-(4,6-dioxo-2-phenyl-3-(2,3,4-trimethoxyphenyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile is 485.1587 g/mol.
Where can I buy 4-(4,6-dioxo-2-phenyl-3-(2,3,4-trimethoxyphenyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile?
You can request a quote for 4-(4,6-dioxo-2-phenyl-3-(2,3,4-trimethoxyphenyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4,6-dioxo-2-phenyl-3-(2,3,4-trimethoxyphenyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(4,6-dioxo-2-phenyl-3-(2,3,4-trimethoxyphenyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.