![4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzenesulfonate structure](/static/products/121/1212404-36-8.webp)
4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzenesulfonate
TL;DR: 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzenesulfonate (CAS 1212404-36-8) is a chemical compound with molecular formula C29H22N2O6S and molecular weight 526.1199 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] benzenesulfonate
Also Known As: 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzenesulfonate, [4-(4,6-dioxo-2,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-3-yl)phenyl] benzenesulfonate, 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d][1,2]oxazol-3-yl)phenyl benzenesulfonate
Technical Specifications
| Molecular Formula | C29H22N2O6S |
| Molecular Weight | 526.1199 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 526.1199 Da |
| Heavy Atoms | 38 |
| Complexity | 956.0 |
| SMILES | C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=C(C=C5)OS(=O)(=O)C6=CC=CC=C6 |
| InChIKey | GZQFZDNPGFECFD-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzenesulfonate
Property Insights of 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzenesulfonate
The XLogP value of 5.1 indicates that 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzenesulfonate. Following Lipinski's Rule of Five, 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzenesulfonate 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-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzenesulfonate?
The CAS number of 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzenesulfonate is 1212404-36-8.
What is the molecular formula of 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzenesulfonate?
The molecular formula of 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzenesulfonate is C29H22N2O6S.
What is the molecular weight of 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzenesulfonate?
The molecular weight of 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzenesulfonate is 526.1199 g/mol.
Where can I buy 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzenesulfonate?
You can request a quote for 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzenesulfonate 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]isoxazol-3-yl)phenyl benzenesulfonate?
Yes, CoreyChem provides custom synthesis services for 4-(4,6-dioxo-2,5-diphenylhexahydro-2H-pyrrolo[3,4-d]isoxazol-3-yl)phenyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.