![(1S,2S,3aR)-1-benzoyl-2-[3-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile structure](/static/products/303/303012-22-8.png)
(1S,2S,3aR)-1-benzoyl-2-[3-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
TL;DR: (1S,2S,3aR)-1-benzoyl-2-[3-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile (CAS 303012-22-8) is a chemical compound with molecular formula C28H18F3N3O and molecular weight 469.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,3aR)-1-benzoyl-2-[3-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: (1S,2S,3aR)-1-benzoyl-2-[3-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile, 1-benzoyl-2-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, (1S,2S,3aR)-1-(phenylcarbonyl)-2-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, (1S,2S,3aR)-1-benzoyl-2-(3-(trifluoromethyl)phenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
| Molecular Formula | C28H18F3N3O |
|---|---|
| Molecular Weight | 469.14 g/mol |
| LogP | 5.98966 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 469.1402 |
| Heavy Atoms | 35 |
| Complexity | 1401.5955 |
Chemical Identifiers
| CAS Number | 303012-22-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)[C@@H]2[C@H](C([C@@H]3N2C4=CC=CC=C4C=C3)(C#N)C#N)C5=CC(=CC=C5)C(F)(F)F |
Product Overview
(1S,2S,3aR)-1-benzoyl-2-[3-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile (CAS 303012-22-8), with molecular formula C28H18F3N3O and molecular weight 469.14 g/mol. IUPAC: (1S,2S,3aR)-1-benzoyl-2-[3-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.
Chemical Property Profile of (1S,2S,3aR)-1-benzoyl-2-[3-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Property Insights of (1S,2S,3aR)-1-benzoyl-2-[3-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
The XLogP value of 5.98966 indicates that (1S,2S,3aR)-1-benzoyl-2-[3-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-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 (1S,2S,3aR)-1-benzoyl-2-[3-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile. Following Lipinski's Rule of Five, (1S,2S,3aR)-1-benzoyl-2-[3-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-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 (1S,2S,3aR)-1-benzoyl-2-[3-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile?
The CAS number of (1S,2S,3aR)-1-benzoyl-2-[3-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile is 303012-22-8.
What is the molecular formula of (1S,2S,3aR)-1-benzoyl-2-[3-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile?
The molecular formula of (1S,2S,3aR)-1-benzoyl-2-[3-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile is C28H18F3N3O.
What is the molecular weight of (1S,2S,3aR)-1-benzoyl-2-[3-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile?
The molecular weight of (1S,2S,3aR)-1-benzoyl-2-[3-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile is 469.14 g/mol.
Where can I buy (1S,2S,3aR)-1-benzoyl-2-[3-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile?
You can request a quote for (1S,2S,3aR)-1-benzoyl-2-[3-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S,2S,3aR)-1-benzoyl-2-[3-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (1S,2S,3aR)-1-benzoyl-2-[3-(trifluoromethyl)phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.