3-(2-Oxoquinolin-1(2H)-yl)propanenitrile
TL;DR: 3-(2-Oxoquinolin-1(2H)-yl)propanenitrile (CAS 25420-48-8) is a chemical compound with molecular formula C12H10N2O and molecular weight 198.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-oxoquinolin-1-yl)propanenitrile
Also Known As: 1(2h)-quinolinepropanenitrile,2-oxo-, 3-(2-oxoquinolin-1-yl)propanenitrile, 3-(2-Oxoquinolin-1(2H)-yl)propanenitrile, 1(2H)-Quinolinepropanenitrile,2-oxo-(9CI), 3-(2-Oxo-1(2H)-quinolinyl)propanenitrile
| Molecular Formula | C12H10N2O |
|---|---|
| Molecular Weight | 198.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.07932 |
| Heavy Atoms | 15 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 25420-48-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=O)N2CCC#N |
| InChIKey | BERHAXSVTSSRFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Oxoquinolin-1(2H)-yl)propanenitrile (CAS 25420-48-8), with molecular formula C12H10N2O and molecular weight 198.08 g/mol. IUPAC: 3-(2-oxoquinolin-1-yl)propanenitrile.
Chemical Property Profile of 3-(2-Oxoquinolin-1(2H)-yl)propanenitrile
Property Insights of 3-(2-Oxoquinolin-1(2H)-yl)propanenitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Oxoquinolin-1(2H)-yl)propanenitrile. With a topological polar surface area (TPSA) of 44.1 Ų, 3-(2-Oxoquinolin-1(2H)-yl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Oxoquinolin-1(2H)-yl)propanenitrile 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
Frequently Asked Questions
What is the CAS number of 3-(2-Oxoquinolin-1(2H)-yl)propanenitrile?
The CAS number of 3-(2-Oxoquinolin-1(2H)-yl)propanenitrile is 25420-48-8.
What is the molecular formula of 3-(2-Oxoquinolin-1(2H)-yl)propanenitrile?
The molecular formula of 3-(2-Oxoquinolin-1(2H)-yl)propanenitrile is C12H10N2O.
What is the molecular weight of 3-(2-Oxoquinolin-1(2H)-yl)propanenitrile?
The molecular weight of 3-(2-Oxoquinolin-1(2H)-yl)propanenitrile is 198.08 g/mol.
Where can I buy 3-(2-Oxoquinolin-1(2H)-yl)propanenitrile?
You can request a quote for 3-(2-Oxoquinolin-1(2H)-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Oxoquinolin-1(2H)-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Oxoquinolin-1(2H)-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.