![(3aR,6aS)-3-(pyridin-3-yl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione structure](/static/products/121/1212116-88-5.webp)
(3aR,6aS)-3-(pyridin-3-yl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
TL;DR: (3aR,6aS)-3-(pyridin-3-yl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione (CAS 1212116-88-5) is a chemical compound with molecular formula C17H13N3O3 and molecular weight 307.0957 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3aR,6aS)-5-(4-methylphenyl)-3-pyridin-3-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: (3aR,6aS)-3-(pyridin-3-yl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, (3aR,6aS)-3-Pyridin-3-yl-5-p-tolyl-3a,6a-dihydro-pyrrolo[3,4-d]isoxazole-4,6-dione, (3aR,6aS)-5-(4-methylphenyl)-3-pyridin-3-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
Technical Specifications
| Molecular Formula | C17H13N3O3 |
| Molecular Weight | 307.0957 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.0957 Da |
| Heavy Atoms | 23 |
| Complexity | 539.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=O)[C@H]3[C@@H](C2=O)ON=C3C4=CN=CC=C4 |
| InChIKey | CNSQTPWCHATLQE-HIFRSBDPSA-N |
Chemical Property Profile of (3aR,6aS)-3-(pyridin-3-yl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
Property Insights of (3aR,6aS)-3-(pyridin-3-yl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aR,6aS)-3-(pyridin-3-yl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (3aR,6aS)-3-(pyridin-3-yl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione. Following Lipinski's Rule of Five, (3aR,6aS)-3-(pyridin-3-yl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-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 (3aR,6aS)-3-(pyridin-3-yl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The CAS number of (3aR,6aS)-3-(pyridin-3-yl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 1212116-88-5.
What is the molecular formula of (3aR,6aS)-3-(pyridin-3-yl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular formula of (3aR,6aS)-3-(pyridin-3-yl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is C17H13N3O3.
What is the molecular weight of (3aR,6aS)-3-(pyridin-3-yl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
The molecular weight of (3aR,6aS)-3-(pyridin-3-yl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione is 307.0957 g/mol.
Where can I buy (3aR,6aS)-3-(pyridin-3-yl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
You can request a quote for (3aR,6aS)-3-(pyridin-3-yl)-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-(pyridin-3-yl)-5-(p-tolyl)-3aH-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione?
Yes, CoreyChem provides custom synthesis services for (3aR,6aS)-3-(pyridin-3-yl)-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.