![4-(3-(4-butoxy-3-ethoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile structure](/static/products/102/1022297-37-5.webp)
4-(3-(4-butoxy-3-ethoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile
TL;DR: 4-(3-(4-butoxy-3-ethoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile (CAS 1022297-37-5) is a chemical compound with molecular formula C30H29N3O5 and molecular weight 511.21072 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[3-(4-butoxy-3-ethoxyphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzonitrile
Also Known As: 4-(3-(4-butoxy-3-ethoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile, 4-[3-(4-butoxy-3-ethoxyphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzonitrile, 4-[3-(4-butoxy-3-ethoxyphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzonitrile
Technical Specifications
| Molecular Formula | C30H29N3O5 |
| Molecular Weight | 511.21072 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 92.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 511.21072 Da |
| Heavy Atoms | 38 |
| Complexity | 874.0 |
| SMILES | CCCCOC1=C(C=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)C#N)ON2C5=CC=CC=C5)OCC |
| InChIKey | GZCWSEBHFBQBQX-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3-(4-butoxy-3-ethoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile
Property Insights of 4-(3-(4-butoxy-3-ethoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile
The XLogP value of 5.3 indicates that 4-(3-(4-butoxy-3-ethoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-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 92.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-(4-butoxy-3-ethoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile. Following Lipinski's Rule of Five, 4-(3-(4-butoxy-3-ethoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-(3-(4-butoxy-3-ethoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile?
The CAS number of 4-(3-(4-butoxy-3-ethoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile is 1022297-37-5.
What is the molecular formula of 4-(3-(4-butoxy-3-ethoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile?
The molecular formula of 4-(3-(4-butoxy-3-ethoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile is C30H29N3O5.
What is the molecular weight of 4-(3-(4-butoxy-3-ethoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile?
The molecular weight of 4-(3-(4-butoxy-3-ethoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile is 511.21072 g/mol.
Where can I buy 4-(3-(4-butoxy-3-ethoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile?
You can request a quote for 4-(3-(4-butoxy-3-ethoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-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-(3-(4-butoxy-3-ethoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile?
Yes, CoreyChem provides custom synthesis services for 4-(3-(4-butoxy-3-ethoxyphenyl)-4,6-dioxo-2-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.