![(1S,2S,3aR)-1-acetyl-2-(3-chlorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile structure](/static/products/957/957296-89-8.png)
(1S,2S,3aR)-1-acetyl-2-(3-chlorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
TL;DR: (1S,2S,3aR)-1-acetyl-2-(3-chlorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile (CAS 957296-89-8) is a chemical compound with molecular formula C22H16ClN3O and molecular weight 373.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,3aR)-1-acetyl-2-(3-chlorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Also Known As: (1S,2S,3aR)-1-acetyl-2-(3-chlorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile, 1-acetyl-2-(3-chlorophenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile, (1S,2S,3aR)-1-acetyl-2-(3-chlorophenyl)-1,2-dihydropyrrolo[1,2-a]quinoline-3,3(3aH)-dicarbonitrile
| Molecular Formula | C22H16ClN3O |
|---|---|
| Molecular Weight | 373.10 g/mol |
| LogP | 4.33036 |
| Topological Polar Surface Area | 67.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 373.09818 |
| Heavy Atoms | 27 |
| Complexity | 1032.0088 |
Chemical Identifiers
| CAS Number | 957296-89-8 |
|---|---|
| SMILES | CC(=O)[C@@H]1[C@H](C([C@@H]2N1C3=CC=CC=C3C=C2)(C#N)C#N)C4=CC(=CC=C4)Cl |
Product Overview
(1S,2S,3aR)-1-acetyl-2-(3-chlorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile (CAS 957296-89-8), with molecular formula C22H16ClN3O and molecular weight 373.10 g/mol. IUPAC: (1S,2S,3aR)-1-acetyl-2-(3-chlorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile.
Chemical Property Profile of (1S,2S,3aR)-1-acetyl-2-(3-chlorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
Property Insights of (1S,2S,3aR)-1-acetyl-2-(3-chlorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile
The XLogP value of 4.33036 indicates that (1S,2S,3aR)-1-acetyl-2-(3-chlorophenyl)-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-acetyl-2-(3-chlorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile. Following Lipinski's Rule of Five, (1S,2S,3aR)-1-acetyl-2-(3-chlorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile has 0 hydrogen bond donor(s) and 4 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-acetyl-2-(3-chlorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile?
The CAS number of (1S,2S,3aR)-1-acetyl-2-(3-chlorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile is 957296-89-8.
What is the molecular formula of (1S,2S,3aR)-1-acetyl-2-(3-chlorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile?
The molecular formula of (1S,2S,3aR)-1-acetyl-2-(3-chlorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile is C22H16ClN3O.
What is the molecular weight of (1S,2S,3aR)-1-acetyl-2-(3-chlorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile?
The molecular weight of (1S,2S,3aR)-1-acetyl-2-(3-chlorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile is 373.10 g/mol.
Where can I buy (1S,2S,3aR)-1-acetyl-2-(3-chlorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile?
You can request a quote for (1S,2S,3aR)-1-acetyl-2-(3-chlorophenyl)-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-acetyl-2-(3-chlorophenyl)-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,3-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (1S,2S,3aR)-1-acetyl-2-(3-chlorophenyl)-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.