3-Quinolinecarbonitrile, 1-acetoxy-1,2-dihydro-2-oxo-
TL;DR: 3-Quinolinecarbonitrile, 1-acetoxy-1,2-dihydro-2-oxo- (CAS 22384-04-9) is a chemical compound with molecular formula C12H8N2O3 and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-cyano-2-oxoquinolin-1-yl) acetate
Also Known As: (3-cyano-2-oxoquinolin-1-yl) acetate, 1-Acetoxy-1,2-dihydro-2-oxo-3-quinolinecarbonitrile, 3-Quinolinecarbonitrile, 1-acetoxy-1,2-dihydro-2-oxo-, 3-cyano-2-oxo-1,2-dihydroquinolin-1-yl acetate, 1-(Acetyloxy)-2-oxo-1,2-dihydro-3-quinolinecarbonitrile #
| Molecular Formula | C12H8N2O3 |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.0535 |
| Heavy Atoms | 17 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 22384-04-9 |
|---|---|
| SMILES | CC(=O)ON1C2=CC=CC=C2C=C(C1=O)C#N |
| InChIKey | ZHLJJSBNDQVPDU-UHFFFAOYSA-N |
Product Overview
3-Quinolinecarbonitrile, 1-acetoxy-1,2-dihydro-2-oxo- (CAS 22384-04-9), with molecular formula C12H8N2O3 and molecular weight 228.05 g/mol. IUPAC: (3-cyano-2-oxoquinolin-1-yl) acetate.
Chemical Property Profile of 3-Quinolinecarbonitrile, 1-acetoxy-1,2-dihydro-2-oxo-
Property Insights of 3-Quinolinecarbonitrile, 1-acetoxy-1,2-dihydro-2-oxo-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Quinolinecarbonitrile, 1-acetoxy-1,2-dihydro-2-oxo-. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Quinolinecarbonitrile, 1-acetoxy-1,2-dihydro-2-oxo-. Following Lipinski's Rule of Five, 3-Quinolinecarbonitrile, 1-acetoxy-1,2-dihydro-2-oxo- 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 3-Quinolinecarbonitrile, 1-acetoxy-1,2-dihydro-2-oxo-?
The CAS number of 3-Quinolinecarbonitrile, 1-acetoxy-1,2-dihydro-2-oxo- is 22384-04-9.
What is the molecular formula of 3-Quinolinecarbonitrile, 1-acetoxy-1,2-dihydro-2-oxo-?
The molecular formula of 3-Quinolinecarbonitrile, 1-acetoxy-1,2-dihydro-2-oxo- is C12H8N2O3.
What is the molecular weight of 3-Quinolinecarbonitrile, 1-acetoxy-1,2-dihydro-2-oxo-?
The molecular weight of 3-Quinolinecarbonitrile, 1-acetoxy-1,2-dihydro-2-oxo- is 228.05 g/mol.
Where can I buy 3-Quinolinecarbonitrile, 1-acetoxy-1,2-dihydro-2-oxo-?
You can request a quote for 3-Quinolinecarbonitrile, 1-acetoxy-1,2-dihydro-2-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Quinolinecarbonitrile, 1-acetoxy-1,2-dihydro-2-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 3-Quinolinecarbonitrile, 1-acetoxy-1,2-dihydro-2-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.