![(2S,3R,10bS)-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile structure](/static/products/121/1212481-81-6.webp)
(2S,3R,10bS)-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
TL;DR: (2S,3R,10bS)-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile (CAS 1212481-81-6) is a chemical compound with molecular formula C28H22FN3 and molecular weight 419.17978 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R,10bS)-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
Also Known As: (2S,3R,10bS)-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile, (2S,3R,10bS)-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
Technical Specifications
| Molecular Formula | C28H22FN3 |
| Molecular Weight | 419.17978 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 50.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 419.17978 Da |
| Heavy Atoms | 32 |
| Complexity | 816.0 |
| SMILES | CC1=CC(=C(C=C1)[C@H]2[C@@H](C([C@H]3N2C=CC4=CC=CC=C34)(C#N)C#N)C5=CC=CC=C5F)C |
| InChIKey | QTHZGJIAEIEINR-QKDODKLFSA-N |
Chemical Property Profile of (2S,3R,10bS)-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
Property Insights of (2S,3R,10bS)-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
The XLogP value of 5.5 indicates that (2S,3R,10bS)-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, (2S,3R,10bS)-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S,3R,10bS)-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (2S,3R,10bS)-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile?
The CAS number of (2S,3R,10bS)-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile is 1212481-81-6.
What is the molecular formula of (2S,3R,10bS)-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile?
The molecular formula of (2S,3R,10bS)-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile is C28H22FN3.
What is the molecular weight of (2S,3R,10bS)-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile?
The molecular weight of (2S,3R,10bS)-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile is 419.17978 g/mol.
Where can I buy (2S,3R,10bS)-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile?
You can request a quote for (2S,3R,10bS)-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2S,3R,10bS)-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile?
Yes, CoreyChem provides custom synthesis services for (2S,3R,10bS)-3-(2,4-dimethylphenyl)-2-(2-fluorophenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.