![4-(4,6-dioxo-2-phenyl-5-(m-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate structure](/static/products/102/1023421-19-3.webp)
4-(4,6-dioxo-2-phenyl-5-(m-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate
TL;DR: 4-(4,6-dioxo-2-phenyl-5-(m-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate (CAS 1023421-19-3) is a chemical compound with molecular formula C31H24N2O5 and molecular weight 504.16852 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[5-(3-methylphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] benzoate
Also Known As: 4-(4,6-dioxo-2-phenyl-5-(m-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate, [4-[3-(3-methylphenyl)-2,4-dioxo-7-phenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl]phenyl] Benzoate, [4-[5-(3-methylphenyl)-4,6-dioxo-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl] benzoate, 4-[5-(3-methylphenyl)-4,6-dioxo-2-phenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl]phenyl benzoate
Technical Specifications
| Molecular Formula | C31H24N2O5 |
| Molecular Weight | 504.16852 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 76.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 504.16852 Da |
| Heavy Atoms | 38 |
| Complexity | 873.0 |
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)OC(=O)C6=CC=CC=C6 |
| InChIKey | XVOPXTZPMAYANC-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4,6-dioxo-2-phenyl-5-(m-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate
Property Insights of 4-(4,6-dioxo-2-phenyl-5-(m-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate
The XLogP value of 5.8 indicates that 4-(4,6-dioxo-2-phenyl-5-(m-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4,6-dioxo-2-phenyl-5-(m-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate. Following Lipinski's Rule of Five, 4-(4,6-dioxo-2-phenyl-5-(m-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-(4,6-dioxo-2-phenyl-5-(m-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate?
The CAS number of 4-(4,6-dioxo-2-phenyl-5-(m-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate is 1023421-19-3.
What is the molecular formula of 4-(4,6-dioxo-2-phenyl-5-(m-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate?
The molecular formula of 4-(4,6-dioxo-2-phenyl-5-(m-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate is C31H24N2O5.
What is the molecular weight of 4-(4,6-dioxo-2-phenyl-5-(m-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate?
The molecular weight of 4-(4,6-dioxo-2-phenyl-5-(m-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate is 504.16852 g/mol.
Where can I buy 4-(4,6-dioxo-2-phenyl-5-(m-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate?
You can request a quote for 4-(4,6-dioxo-2-phenyl-5-(m-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate 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-5-(m-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate?
Yes, CoreyChem provides custom synthesis services for 4-(4,6-dioxo-2-phenyl-5-(m-tolyl)hexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.