![(1S,2S,3aR)-1-(4-fluorobenzoyl)-2-(furan-2-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile structure](/static/products/303/303012-35-3.png)
(1S,2S,3aR)-1-(4-fluorobenzoyl)-2-(furan-2-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
TL;DR: (1S,2S,3aR)-1-(4-fluorobenzoyl)-2-(furan-2-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile (CAS 303012-35-3) is a chemical compound with molecular formula C25H16FN3O2 and molecular weight 409.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,3aR)-1-(4-fluorobenzoyl)-2-(furan-2-yl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: (1S,2S,3aR)-1-(4-fluorobenzoyl)-2-(furan-2-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, (1S,2S,3aR)-1-(4-fluorobenzoyl)-2-(furan-2-yl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile, (1S,2S,3aR)-1-[(4-fluorophenyl)carbonyl]-2-(2-furyl)-10,3a-dihydropyrrolidino[ 1,2-a]quinoline-3,3-dicarbonitrile, (1S,2S,3aR)-1-[(4-fluorophenyl)carbonyl]-2-(furan-2-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, 1-(4-fluorobenzoyl)-2-(2-furyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
| Molecular Formula | C25H16FN3O2 |
|---|---|
| Molecular Weight | 409.12 g/mol |
| LogP | 4.70296 |
| Topological Polar Surface Area | 81.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 409.12265 |
| Heavy Atoms | 31 |
| Complexity | 1251.3411 |
Chemical Identifiers
| CAS Number | 303012-35-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C[C@H]3N2[C@@H]([C@H](C3(C#N)C#N)C4=CC=CO4)C(=O)C5=CC=C(C=C5)F |
Product Overview
(1S,2S,3aR)-1-(4-fluorobenzoyl)-2-(furan-2-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile (CAS 303012-35-3), with molecular formula C25H16FN3O2 and molecular weight 409.12 g/mol. IUPAC: (1S,2S,3aR)-1-(4-fluorobenzoyl)-2-(furan-2-yl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.
Chemical Property Profile of (1S,2S,3aR)-1-(4-fluorobenzoyl)-2-(furan-2-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
Property Insights of (1S,2S,3aR)-1-(4-fluorobenzoyl)-2-(furan-2-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
The XLogP value of 4.70296 indicates that (1S,2S,3aR)-1-(4-fluorobenzoyl)-2-(furan-2-yl)-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 81.03 Ų falls within the moderate polarity range, balancing permeability and solubility for (1S,2S,3aR)-1-(4-fluorobenzoyl)-2-(furan-2-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile. Following Lipinski's Rule of Five, (1S,2S,3aR)-1-(4-fluorobenzoyl)-2-(furan-2-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1S,2S,3aR)-1-(4-fluorobenzoyl)-2-(furan-2-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile?
The CAS number of (1S,2S,3aR)-1-(4-fluorobenzoyl)-2-(furan-2-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile is 303012-35-3.
What is the molecular formula of (1S,2S,3aR)-1-(4-fluorobenzoyl)-2-(furan-2-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile?
The molecular formula of (1S,2S,3aR)-1-(4-fluorobenzoyl)-2-(furan-2-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile is C25H16FN3O2.
What is the molecular weight of (1S,2S,3aR)-1-(4-fluorobenzoyl)-2-(furan-2-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile?
The molecular weight of (1S,2S,3aR)-1-(4-fluorobenzoyl)-2-(furan-2-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile is 409.12 g/mol.
Where can I buy (1S,2S,3aR)-1-(4-fluorobenzoyl)-2-(furan-2-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile?
You can request a quote for (1S,2S,3aR)-1-(4-fluorobenzoyl)-2-(furan-2-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-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-(4-fluorobenzoyl)-2-(furan-2-yl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (1S,2S,3aR)-1-(4-fluorobenzoyl)-2-(furan-2-yl)-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.