![4-Oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile structure](/static/products/1008/1008859-21-9.webp)
4-Oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile
TL;DR: 4-Oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile (CAS 1008859-21-9) is a chemical compound with molecular formula C12H11N3O and molecular weight 213.09021 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carbonitrile
Also Known As: 4-oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile, 4-oxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-7-carbonitrile, 4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carbonitrile, 2X-0246, Pyrrolo[1,2-a]quinoxaline-7-carbonitrile, 1,2,3,3a,4,5-hexahydro-4-oxo-
Technical Specifications
| Molecular Formula | C12H11N3O |
| Molecular Weight | 213.09021 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 56.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.09021 Da |
| Heavy Atoms | 16 |
| Complexity | 359.0 |
| SMILES | C1CC2C(=O)NC3=C(N2C1)C=CC(=C3)C#N |
| InChIKey | XHSZJQLCGQWYPQ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile
Property Insights of 4-Oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile. With a topological polar surface area (TPSA) of 56.1 Ų, 4-Oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile?
The CAS number of 4-Oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile is 1008859-21-9.
What is the molecular formula of 4-Oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile?
The molecular formula of 4-Oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile is C12H11N3O.
What is the molecular weight of 4-Oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile?
The molecular weight of 4-Oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile is 213.09021 g/mol.
Where can I buy 4-Oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile?
You can request a quote for 4-Oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 4-Oxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.