![(10aS,8R,9R)-8-(2,2-dimethylpropanoyl)-9-[4-(trifluoromethyl)phenyl]-7,10a-dih ydropyrrolidino[2,1-a]isoquinoline-10,10-dicarbonitrile structure](/static/products/293/293312-99-9.png)
(10aS,8R,9R)-8-(2,2-dimethylpropanoyl)-9-[4-(trifluoromethyl)phenyl]-7,10a-dih ydropyrrolidino[2,1-a]isoquinoline-10,10-dicarbonitrile
TL;DR: (10aS,8R,9R)-8-(2,2-dimethylpropanoyl)-9-[4-(trifluoromethyl)phenyl]-7,10a-dih ydropyrrolidino[2,1-a]isoquinoline-10,10-dicarbonitrile (CAS 293312-99-9) is a chemical compound with molecular formula C26H22F3N3O and molecular weight 449.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,10bS)-3-(2,2-dimethylpropanoyl)-2-[4-(trifluoromethyl)phenyl]-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile
Also Known As: (10aS,8R,9R)-8-(2,2-dimethylpropanoyl)-9-[4-(trifluoromethyl)phenyl]-7,10a-dih ydropyrrolidino[2,1-a]isoquinoline-10,10-dicarbonitrile, (2R,3R,10bS)-3-(2,2-dimethylpropanoyl)-2-[4-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile, (2R,3R,10bS)-3-(2,2-dimethylpropanoyl)-2-[4-(trifluoromethyl)phenyl]-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile, (2R,3R,10bS)-3-pivaloyl-2-(4-(trifluoromethyl)phenyl)-2,3-dihydropyrrolo[2,1-a]isoquinoline-1,1(10bH)-dicarbonitrile
| Molecular Formula | C26H22F3N3O |
|---|---|
| Molecular Weight | 449.17 g/mol |
| LogP | 5.84756 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 449.1715 |
| Heavy Atoms | 33 |
| Complexity | 1195.5591 |
Chemical Identifiers
| CAS Number | 293312-99-9 |
|---|---|
| SMILES | CC(C)(C)C(=O)[C@H]1[C@@H](C([C@H]2N1C=CC3=CC=CC=C23)(C#N)C#N)C4=CC=C(C=C4)C(F)(F)F |
Product Overview
(10aS,8R,9R)-8-(2,2-dimethylpropanoyl)-9-[4-(trifluoromethyl)phenyl]-7,10a-dih ydropyrrolidino[2,1-a]isoquinoline-10,10-dicarbonitrile (CAS 293312-99-9), with molecular formula C26H22F3N3O and molecular weight 449.17 g/mol. IUPAC: (2R,3R,10bS)-3-(2,2-dimethylpropanoyl)-2-[4-(trifluoromethyl)phenyl]-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile.
Chemical Property Profile of (10aS,8R,9R)-8-(2,2-dimethylpropanoyl)-9-[4-(trifluoromethyl)phenyl]-7,10a-dih ydropyrrolidino[2,1-a]isoquinoline-10,10-dicarbonitrile
Property Insights of (10aS,8R,9R)-8-(2,2-dimethylpropanoyl)-9-[4-(trifluoromethyl)phenyl]-7,10a-dih ydropyrrolidino[2,1-a]isoquinoline-10,10-dicarbonitrile
The XLogP value of 5.84756 indicates that (10aS,8R,9R)-8-(2,2-dimethylpropanoyl)-9-[4-(trifluoromethyl)phenyl]-7,10a-dih ydropyrrolidino[2,1-a]isoquinoline-10,10-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.89 Ų falls within the moderate polarity range, balancing permeability and solubility for (10aS,8R,9R)-8-(2,2-dimethylpropanoyl)-9-[4-(trifluoromethyl)phenyl]-7,10a-dih ydropyrrolidino[2,1-a]isoquinoline-10,10-dicarbonitrile. Following Lipinski's Rule of Five, (10aS,8R,9R)-8-(2,2-dimethylpropanoyl)-9-[4-(trifluoromethyl)phenyl]-7,10a-dih ydropyrrolidino[2,1-a]isoquinoline-10,10-dicarbonitrile has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (10aS,8R,9R)-8-(2,2-dimethylpropanoyl)-9-[4-(trifluoromethyl)phenyl]-7,10a-dih ydropyrrolidino[2,1-a]isoquinoline-10,10-dicarbonitrile?
The CAS number of (10aS,8R,9R)-8-(2,2-dimethylpropanoyl)-9-[4-(trifluoromethyl)phenyl]-7,10a-dih ydropyrrolidino[2,1-a]isoquinoline-10,10-dicarbonitrile is 293312-99-9.
What is the molecular formula of (10aS,8R,9R)-8-(2,2-dimethylpropanoyl)-9-[4-(trifluoromethyl)phenyl]-7,10a-dih ydropyrrolidino[2,1-a]isoquinoline-10,10-dicarbonitrile?
The molecular formula of (10aS,8R,9R)-8-(2,2-dimethylpropanoyl)-9-[4-(trifluoromethyl)phenyl]-7,10a-dih ydropyrrolidino[2,1-a]isoquinoline-10,10-dicarbonitrile is C26H22F3N3O.
What is the molecular weight of (10aS,8R,9R)-8-(2,2-dimethylpropanoyl)-9-[4-(trifluoromethyl)phenyl]-7,10a-dih ydropyrrolidino[2,1-a]isoquinoline-10,10-dicarbonitrile?
The molecular weight of (10aS,8R,9R)-8-(2,2-dimethylpropanoyl)-9-[4-(trifluoromethyl)phenyl]-7,10a-dih ydropyrrolidino[2,1-a]isoquinoline-10,10-dicarbonitrile is 449.17 g/mol.
Where can I buy (10aS,8R,9R)-8-(2,2-dimethylpropanoyl)-9-[4-(trifluoromethyl)phenyl]-7,10a-dih ydropyrrolidino[2,1-a]isoquinoline-10,10-dicarbonitrile?
You can request a quote for (10aS,8R,9R)-8-(2,2-dimethylpropanoyl)-9-[4-(trifluoromethyl)phenyl]-7,10a-dih ydropyrrolidino[2,1-a]isoquinoline-10,10-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (10aS,8R,9R)-8-(2,2-dimethylpropanoyl)-9-[4-(trifluoromethyl)phenyl]-7,10a-dih ydropyrrolidino[2,1-a]isoquinoline-10,10-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (10aS,8R,9R)-8-(2,2-dimethylpropanoyl)-9-[4-(trifluoromethyl)phenyl]-7,10a-dih ydropyrrolidino[2,1-a]isoquinoline-10,10-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.