![4-(4,6-dioxo-2-phenyl-3-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile structure](/static/products/100/1008666-38-3.png)
4-(4,6-dioxo-2-phenyl-3-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile
TL;DR: 4-(4,6-dioxo-2-phenyl-3-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile (CAS 1008666-38-3) is a chemical compound with molecular formula C25H19N3O3 and molecular weight 409.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(2-methylphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzonitrile
Also Known As: 4-(4,6-dioxo-2-phenyl-3-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile, 4-[3-(2-methylphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzonitrile, 4-[3-(2-methylphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzonitrile
| Molecular Formula | C25H19N3O3 |
|---|---|
| Molecular Weight | 409.14 g/mol |
| LogP | 3.9178 |
| Topological Polar Surface Area | 73.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.14264 |
| Heavy Atoms | 31 |
| Complexity | 1200.6868 |
Chemical Identifiers
| CAS Number | 1008666-38-3 |
|---|---|
| SMILES | CC1=CC=CC=C1C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)C#N)ON2C5=CC=CC=C5 |
Product Overview
4-(4,6-dioxo-2-phenyl-3-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile (CAS 1008666-38-3), with molecular formula C25H19N3O3 and molecular weight 409.14 g/mol. IUPAC: 4-[3-(2-methylphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzonitrile.
Chemical Property Profile of 4-(4,6-dioxo-2-phenyl-3-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile
Property Insights of 4-(4,6-dioxo-2-phenyl-3-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile
The XLogP value of 3.9178 indicates that 4-(4,6-dioxo-2-phenyl-3-(o-tolyl)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 73.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4,6-dioxo-2-phenyl-3-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile. Following Lipinski's Rule of Five, 4-(4,6-dioxo-2-phenyl-3-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile has 0 hydrogen bond donor(s) and 5 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 4-(4,6-dioxo-2-phenyl-3-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile?
The CAS number of 4-(4,6-dioxo-2-phenyl-3-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile is 1008666-38-3.
What is the molecular formula of 4-(4,6-dioxo-2-phenyl-3-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile?
The molecular formula of 4-(4,6-dioxo-2-phenyl-3-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile is C25H19N3O3.
What is the molecular weight of 4-(4,6-dioxo-2-phenyl-3-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile?
The molecular weight of 4-(4,6-dioxo-2-phenyl-3-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile is 409.14 g/mol.
Where can I buy 4-(4,6-dioxo-2-phenyl-3-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile?
You can request a quote for 4-(4,6-dioxo-2-phenyl-3-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4,6-dioxo-2-phenyl-3-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4,6-dioxo-2-phenyl-3-(o-tolyl)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.