2-Quinolinecarbonitrile, 1,2-dihydro-1-benzoyl-
TL;DR: 2-Quinolinecarbonitrile, 1,2-dihydro-1-benzoyl- (CAS 13721-17-0) is a chemical compound with molecular formula C17H12N2O and molecular weight 260.09497 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-benzoyl-2H-quinoline-2-carbonitrile
Also Known As: 1-benzoyl-1,2-dihydroquinoline-2-carbonitrile, 1-benzoyl-2H-quinoline-2-carbonitrile, 1-Benzoyl-1,2-dihydro-2-quinolinecarbonitrile, 1-Benzoyl-1,2-dihydroquinaldonitrile, Maybridge1_007249
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H12N2O |
| Molecular Weight | 260.09497 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.09497 Da |
| Heavy Atoms | 20 |
| Complexity | 441.0 |
| Solubility | 10.3 [ug/mL] (The mean of the results at pH 7.4) |
| SMILES | C1=CC=C(C=C1)C(=O)N2C(C=CC3=CC=CC=C32)C#N |
| InChIKey | ISINJAULVPSFFZ-UHFFFAOYSA-N |
Chemical Property Profile of 2-Quinolinecarbonitrile, 1,2-dihydro-1-benzoyl-
Property Insights of 2-Quinolinecarbonitrile, 1,2-dihydro-1-benzoyl-
The XLogP value of 3.3 indicates that 2-Quinolinecarbonitrile, 1,2-dihydro-1-benzoyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, 2-Quinolinecarbonitrile, 1,2-dihydro-1-benzoyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Quinolinecarbonitrile, 1,2-dihydro-1-benzoyl- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Quinolinecarbonitrile, 1,2-dihydro-1-benzoyl-?
The CAS number of 2-Quinolinecarbonitrile, 1,2-dihydro-1-benzoyl- is 13721-17-0.
What is the molecular formula of 2-Quinolinecarbonitrile, 1,2-dihydro-1-benzoyl-?
The molecular formula of 2-Quinolinecarbonitrile, 1,2-dihydro-1-benzoyl- is C17H12N2O.
What is the molecular weight of 2-Quinolinecarbonitrile, 1,2-dihydro-1-benzoyl-?
The molecular weight of 2-Quinolinecarbonitrile, 1,2-dihydro-1-benzoyl- is 260.09497 g/mol.
Where can I buy 2-Quinolinecarbonitrile, 1,2-dihydro-1-benzoyl-?
You can request a quote for 2-Quinolinecarbonitrile, 1,2-dihydro-1-benzoyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Quinolinecarbonitrile, 1,2-dihydro-1-benzoyl-?
Yes, CoreyChem provides custom synthesis services for 2-Quinolinecarbonitrile, 1,2-dihydro-1-benzoyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.