![(3aS,4R,4aS,7aR,8R,8aS)-3-(2-chlorophenyl)-6-(4-chlorophenyl)-4,4a,8,8a-tetrahydro-3aH-4,8-epoxyisoxazolo[4,5-f]isoindole-5,7(6H,7aH)-dione structure](/static/products/116/1164506-53-9.webp)
(3aS,4R,4aS,7aR,8R,8aS)-3-(2-chlorophenyl)-6-(4-chlorophenyl)-4,4a,8,8a-tetrahydro-3aH-4,8-epoxyisoxazolo[4,5-f]isoindole-5,7(6H,7aH)-dione
TL;DR: (3aS,4R,4aS,7aR,8R,8aS)-3-(2-chlorophenyl)-6-(4-chlorophenyl)-4,4a,8,8a-tetrahydro-3aH-4,8-epoxyisoxazolo[4,5-f]isoindole-5,7(6H,7aH)-dione (CAS 1164506-53-9) is a chemical compound with molecular formula C21H14Cl2N2O4 and molecular weight 428.03305 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2S,6S,7R,8S,12R)-5-(2-chlorophenyl)-10-(4-chlorophenyl)-3,13-dioxa-4,10-diazatetracyclo[5.5.1.02,6.08,12]tridec-4-ene-9,11-dione
Also Known As: (3aS,4R,4aS,7aR,8R,8aS)-3-(2-chlorophenyl)-6-(4-chlorophenyl)-4,4a,8,8a-tetrahydro-3aH-4,8-epoxyisoxazolo[4,5-f]isoindole-5,7(6H,7aH)-dione, (3aS,4R,4aS,7aR,8R,8aS)-3-(2-chlorophenyl)-6-(4-chlorophenyl)-4a,7a,8,8a-tetrahydro-3aH-4,8-epoxy[1,2]oxazolo[4,5-f]isoindole-5,7(4H,6H)-dione
Technical Specifications
| Molecular Formula | C21H14Cl2N2O4 |
| Molecular Weight | 428.03305 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 68.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 428.03305 Da |
| Heavy Atoms | 29 |
| Complexity | 768.0 |
| SMILES | C1=CC=C(C(=C1)C2=NO[C@H]3[C@@H]2[C@@H]4[C@@H]5[C@H]([C@H]3O4)C(=O)N(C5=O)C6=CC=C(C=C6)Cl)Cl |
| InChIKey | PPFOFRGEVFYVCW-URXDRIIQSA-N |
Chemical Property Profile of (3aS,4R,4aS,7aR,8R,8aS)-3-(2-chlorophenyl)-6-(4-chlorophenyl)-4,4a,8,8a-tetrahydro-3aH-4,8-epoxyisoxazolo[4,5-f]isoindole-5,7(6H,7aH)-dione
Property Insights of (3aS,4R,4aS,7aR,8R,8aS)-3-(2-chlorophenyl)-6-(4-chlorophenyl)-4,4a,8,8a-tetrahydro-3aH-4,8-epoxyisoxazolo[4,5-f]isoindole-5,7(6H,7aH)-dione
The XLogP value of 3.2 indicates that (3aS,4R,4aS,7aR,8R,8aS)-3-(2-chlorophenyl)-6-(4-chlorophenyl)-4,4a,8,8a-tetrahydro-3aH-4,8-epoxyisoxazolo[4,5-f]isoindole-5,7(6H,7aH)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aS,4R,4aS,7aR,8R,8aS)-3-(2-chlorophenyl)-6-(4-chlorophenyl)-4,4a,8,8a-tetrahydro-3aH-4,8-epoxyisoxazolo[4,5-f]isoindole-5,7(6H,7aH)-dione. Following Lipinski's Rule of Five, (3aS,4R,4aS,7aR,8R,8aS)-3-(2-chlorophenyl)-6-(4-chlorophenyl)-4,4a,8,8a-tetrahydro-3aH-4,8-epoxyisoxazolo[4,5-f]isoindole-5,7(6H,7aH)-dione 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
What is the CAS number of (3aS,4R,4aS,7aR,8R,8aS)-3-(2-chlorophenyl)-6-(4-chlorophenyl)-4,4a,8,8a-tetrahydro-3aH-4,8-epoxyisoxazolo[4,5-f]isoindole-5,7(6H,7aH)-dione?
The CAS number of (3aS,4R,4aS,7aR,8R,8aS)-3-(2-chlorophenyl)-6-(4-chlorophenyl)-4,4a,8,8a-tetrahydro-3aH-4,8-epoxyisoxazolo[4,5-f]isoindole-5,7(6H,7aH)-dione is 1164506-53-9.
What is the molecular formula of (3aS,4R,4aS,7aR,8R,8aS)-3-(2-chlorophenyl)-6-(4-chlorophenyl)-4,4a,8,8a-tetrahydro-3aH-4,8-epoxyisoxazolo[4,5-f]isoindole-5,7(6H,7aH)-dione?
The molecular formula of (3aS,4R,4aS,7aR,8R,8aS)-3-(2-chlorophenyl)-6-(4-chlorophenyl)-4,4a,8,8a-tetrahydro-3aH-4,8-epoxyisoxazolo[4,5-f]isoindole-5,7(6H,7aH)-dione is C21H14Cl2N2O4.
What is the molecular weight of (3aS,4R,4aS,7aR,8R,8aS)-3-(2-chlorophenyl)-6-(4-chlorophenyl)-4,4a,8,8a-tetrahydro-3aH-4,8-epoxyisoxazolo[4,5-f]isoindole-5,7(6H,7aH)-dione?
The molecular weight of (3aS,4R,4aS,7aR,8R,8aS)-3-(2-chlorophenyl)-6-(4-chlorophenyl)-4,4a,8,8a-tetrahydro-3aH-4,8-epoxyisoxazolo[4,5-f]isoindole-5,7(6H,7aH)-dione is 428.03305 g/mol.
Where can I buy (3aS,4R,4aS,7aR,8R,8aS)-3-(2-chlorophenyl)-6-(4-chlorophenyl)-4,4a,8,8a-tetrahydro-3aH-4,8-epoxyisoxazolo[4,5-f]isoindole-5,7(6H,7aH)-dione?
You can request a quote for (3aS,4R,4aS,7aR,8R,8aS)-3-(2-chlorophenyl)-6-(4-chlorophenyl)-4,4a,8,8a-tetrahydro-3aH-4,8-epoxyisoxazolo[4,5-f]isoindole-5,7(6H,7aH)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3aS,4R,4aS,7aR,8R,8aS)-3-(2-chlorophenyl)-6-(4-chlorophenyl)-4,4a,8,8a-tetrahydro-3aH-4,8-epoxyisoxazolo[4,5-f]isoindole-5,7(6H,7aH)-dione?
Yes, CoreyChem provides custom synthesis services for (3aS,4R,4aS,7aR,8R,8aS)-3-(2-chlorophenyl)-6-(4-chlorophenyl)-4,4a,8,8a-tetrahydro-3aH-4,8-epoxyisoxazolo[4,5-f]isoindole-5,7(6H,7aH)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.