![(1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-7-methyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile structure](/static/products/303/303039-35-2.png)
(1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-7-methyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
TL;DR: (1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-7-methyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile (CAS 303039-35-2) is a chemical compound with molecular formula C26H24FN3O and molecular weight 413.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-7-methyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: (1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-7-methyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile, (1S,2S,3aR)-2-(4-fluorophenyl)-7-methyl-1-pivaloyl-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
| Molecular Formula | C26H24FN3O |
|---|---|
| Molecular Weight | 413.19 g/mol |
| LogP | 5.15068 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 413.19034 |
| Heavy Atoms | 31 |
| Complexity | 1147.109 |
Chemical Identifiers
| CAS Number | 303039-35-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N3[C@H](C=C2)C([C@@H]([C@H]3C(=O)C(C)(C)C)C4=CC=C(C=C4)F)(C#N)C#N |
Product Overview
(1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-7-methyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile (CAS 303039-35-2), with molecular formula C26H24FN3O and molecular weight 413.19 g/mol. IUPAC: (1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-7-methyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.
Chemical Property Profile of (1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-7-methyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Property Insights of (1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-7-methyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
The XLogP value of 5.15068 indicates that (1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-7-methyl-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-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-7-methyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile. Following Lipinski's Rule of Five, (1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-7-methyl-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-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-7-methyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile?
The CAS number of (1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-7-methyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile is 303039-35-2.
What is the molecular formula of (1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-7-methyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile?
The molecular formula of (1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-7-methyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile is C26H24FN3O.
What is the molecular weight of (1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-7-methyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile?
The molecular weight of (1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-7-methyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile is 413.19 g/mol.
Where can I buy (1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-7-methyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile?
You can request a quote for (1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-7-methyl-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-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-7-methyl-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (1S,2S,3aR)-1-(2,2-dimethylpropanoyl)-2-(4-fluorophenyl)-7-methyl-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.