![4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)phenyl benzoate structure](/static/products/1022/1022834-85-0.webp)
4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)phenyl benzoate
TL;DR: 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)phenyl benzoate (CAS 1022834-85-0) is a chemical compound with molecular formula C30H22N2O5 and molecular weight 490.15286 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-(4,6-dioxo-2,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl)phenyl] benzoate
Also Known As: 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)phenyl benzoate, [4-(2,4-dioxo-3,7-diphenyl-6-oxa-3,7-diazabicyclo[3.3.0]oct-8-yl)phenyl] Benzoate, 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzoate, [4-(4,6-dioxo-2,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl)phenyl] benzoate
Technical Specifications
| Molecular Formula | C30H22N2O5 |
| Molecular Weight | 490.15286 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 76.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.15286 Da |
| Heavy Atoms | 37 |
| Complexity | 837.0 |
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3C4C(C(=O)N(C4=O)C5=CC=CC=C5)ON3C6=CC=CC=C6 |
| InChIKey | OVQNCXQGSUJJPI-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)phenyl benzoate
Property Insights of 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)phenyl benzoate
The XLogP value of 5.4 indicates that 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-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-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)phenyl benzoate. Following Lipinski's Rule of Five, 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-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-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)phenyl benzoate?
The CAS number of 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)phenyl benzoate is 1022834-85-0.
What is the molecular formula of 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)phenyl benzoate?
The molecular formula of 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)phenyl benzoate is C30H22N2O5.
What is the molecular weight of 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)phenyl benzoate?
The molecular weight of 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)phenyl benzoate is 490.15286 g/mol.
Where can I buy 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)phenyl benzoate?
You can request a quote for 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-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-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)phenyl benzoate?
Yes, CoreyChem provides custom synthesis services for 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)phenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.