![2-(4-bromo-2-fluorophenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile structure](/static/products/500/500102-34-1.webp)
2-(4-bromo-2-fluorophenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
TL;DR: 2-(4-bromo-2-fluorophenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile (CAS 500102-34-1) is a chemical compound with molecular formula C25H21BrFN3O and molecular weight 477.0852 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2R,3aR)-2-(4-bromo-2-fluorophenyl)-1-(2,2-dimethylpropanoyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: 2-(4-bromo-2-fluorophenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, (1S,2R,3aR)-2-(4-bromo-2-fluorophenyl)-1-(2,2-dimethylpropanoyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile, (1S,2R,3aR)-2-(4-bromo-2-fluorophenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, (1S,2S,3AR)-2-(4-BROMO-2-FLUOROPHENYL)-1-(2,2-DIMETHYLPROPANOYL)-1,2-DIHYDROPYRROLO[1,2-A]QUINOLINE-3,3(3AH)-DICARBONITRILE
Technical Specifications
| Molecular Formula | C25H21BrFN3O |
| Molecular Weight | 477.0852 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 67.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 477.0852 Da |
| Heavy Atoms | 31 |
| Complexity | 845.0 |
| SMILES | CC(C)(C)C(=O)[C@@H]1[C@H](C([C@@H]2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=C(C=C(C=C4)Br)F |
| InChIKey | QNGWCMOPCOAGFS-VSKRKVRLSA-N |
Chemical Property Profile of 2-(4-bromo-2-fluorophenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Property Insights of 2-(4-bromo-2-fluorophenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
The XLogP value of 5.4 indicates that 2-(4-bromo-2-fluorophenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-bromo-2-fluorophenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile. Following Lipinski's Rule of Five, 2-(4-bromo-2-fluorophenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-(4-bromo-2-fluorophenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile?
The CAS number of 2-(4-bromo-2-fluorophenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile is 500102-34-1.
What is the molecular formula of 2-(4-bromo-2-fluorophenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile?
The molecular formula of 2-(4-bromo-2-fluorophenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile is C25H21BrFN3O.
What is the molecular weight of 2-(4-bromo-2-fluorophenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile?
The molecular weight of 2-(4-bromo-2-fluorophenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile is 477.0852 g/mol.
Where can I buy 2-(4-bromo-2-fluorophenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile?
You can request a quote for 2-(4-bromo-2-fluorophenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-bromo-2-fluorophenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(4-bromo-2-fluorophenyl)-1-(2,2-dimethylpropanoyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.