![(3aR,6aS)-3-(3-nitrophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione structure](/static/products/121/1212312-55-4.webp)
(3aR,6aS)-3-(3-nitrophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
TL;DR: (3aR,6aS)-3-(3-nitrophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1212312-55-4) is a chemical compound with molecular formula C18H13N3O5 and molecular weight 351.0855 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3aR,6aS)-5-(4-methylphenyl)-3-(3-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: (3aR,6aS)-3-(3-nitrophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, (3aR,6aS)-5-(4-methylphenyl)-3-(3-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione, (3aR,6aS)-5-(4-methylphenyl)-3-(3-nitrophenyl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Technical Specifications
| Molecular Formula | C18H13N3O5 |
| Molecular Weight | 351.0855 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.0855 Da |
| Heavy Atoms | 26 |
| Complexity | 650.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=CC(=CC=C4)[N+](=O)[O-] |
| InChIKey | KDUOFNLMQJKNAU-ZBFHGGJFSA-N |
Chemical Property Profile of (3aR,6aS)-3-(3-nitrophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
Property Insights of (3aR,6aS)-3-(3-nitrophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aR,6aS)-3-(3-nitrophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aR,6aS)-3-(3-nitrophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione. Following Lipinski's Rule of Five, (3aR,6aS)-3-(3-nitrophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione has 0 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 (3aR,6aS)-3-(3-nitrophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The CAS number of (3aR,6aS)-3-(3-nitrophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1212312-55-4.
What is the molecular formula of (3aR,6aS)-3-(3-nitrophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular formula of (3aR,6aS)-3-(3-nitrophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C18H13N3O5.
What is the molecular weight of (3aR,6aS)-3-(3-nitrophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular weight of (3aR,6aS)-3-(3-nitrophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 351.0855 g/mol.
Where can I buy (3aR,6aS)-3-(3-nitrophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
You can request a quote for (3aR,6aS)-3-(3-nitrophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3aR,6aS)-3-(3-nitrophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
Yes, CoreyChem provides custom synthesis services for (3aR,6aS)-3-(3-nitrophenyl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.