![4-(4,6-dioxo-2-phenyl-3-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid structure](/static/products/102/1022769-42-1.webp)
4-(4,6-dioxo-2-phenyl-3-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid
TL;DR: 4-(4,6-dioxo-2-phenyl-3-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid (CAS 1022769-42-1) is a chemical compound with molecular formula C25H20N2O5 and molecular weight 428.1372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[3-(2-methylphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoic acid
Also Known As: 4-(4,6-dioxo-2-phenyl-3-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid, 4-[3-(2-methylphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoic acid, 4-[3-(2-methylphenyl)-4,6-dioxo-2-phenylhexahydro-5H-pyrrolo[3,4-d][1,2]oxazol-5-yl]benzoic acid, 4-[8-(2-methylphenyl)-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-3-yl]benzoic Acid
Technical Specifications
| Molecular Formula | C25H20N2O5 |
| Molecular Weight | 428.1372 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 87.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.1372 Da |
| Heavy Atoms | 32 |
| Complexity | 743.0 |
| SMILES | CC1=CC=CC=C1C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O)ON2C5=CC=CC=C5 |
| InChIKey | JRCAJBKWMVHQDJ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4,6-dioxo-2-phenyl-3-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid
Property Insights of 4-(4,6-dioxo-2-phenyl-3-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid
The XLogP value of 3.9 indicates that 4-(4,6-dioxo-2-phenyl-3-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.2 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)benzoic acid. 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)benzoic acid has 1 hydrogen bond donor(s) and 6 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-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid?
The CAS number of 4-(4,6-dioxo-2-phenyl-3-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid is 1022769-42-1.
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)benzoic acid?
The molecular formula of 4-(4,6-dioxo-2-phenyl-3-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid is C25H20N2O5.
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)benzoic acid?
The molecular weight of 4-(4,6-dioxo-2-phenyl-3-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid is 428.1372 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)benzoic acid?
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)benzoic acid 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-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(4,6-dioxo-2-phenyl-3-(o-tolyl)tetrahydro-2H-pyrrolo[3,4-d]isoxazol-5(3H)-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.