3-(3,4-dihydroquinolin-1(2H)-yl)-3-oxopropanenitrile
TL;DR: 3-(3,4-dihydroquinolin-1(2H)-yl)-3-oxopropanenitrile (CAS 544453-01-2) is a chemical compound with molecular formula C12H12N2O and molecular weight 200.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanenitrile
Also Known As: 3-(3,4-dihydroquinolin-1(2H)-yl)-3-oxopropanenitrile, Quinoline,1- -1,2,3,4-tetrahydro-, 3-(3,4-Dihydro-1(2H)-quinolinyl)-3-oxopropanenitrile, 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-propanenitrile, 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxo-propionitrile
| Molecular Formula | C12H12N2O |
|---|---|
| Molecular Weight | 200.09 g/mol |
| LogP | 1.87948 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.09496 |
| Heavy Atoms | 15 |
| Complexity | 419.87546 |
Chemical Identifiers
| CAS Number | 544453-01-2 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)C(=O)CC#N |
Product Overview
3-(3,4-dihydroquinolin-1(2H)-yl)-3-oxopropanenitrile (CAS 544453-01-2), with molecular formula C12H12N2O and molecular weight 200.09 g/mol. IUPAC: 3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanenitrile.
Chemical Property Profile of 3-(3,4-dihydroquinolin-1(2H)-yl)-3-oxopropanenitrile
Property Insights of 3-(3,4-dihydroquinolin-1(2H)-yl)-3-oxopropanenitrile
The XLogP value of 1.87948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-dihydroquinolin-1(2H)-yl)-3-oxopropanenitrile. With a topological polar surface area (TPSA) of 44.1 Ų, 3-(3,4-dihydroquinolin-1(2H)-yl)-3-oxopropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-dihydroquinolin-1(2H)-yl)-3-oxopropanenitrile 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-(3,4-dihydroquinolin-1(2H)-yl)-3-oxopropanenitrile?
The CAS number of 3-(3,4-dihydroquinolin-1(2H)-yl)-3-oxopropanenitrile is 544453-01-2.
What is the molecular formula of 3-(3,4-dihydroquinolin-1(2H)-yl)-3-oxopropanenitrile?
The molecular formula of 3-(3,4-dihydroquinolin-1(2H)-yl)-3-oxopropanenitrile is C12H12N2O.
What is the molecular weight of 3-(3,4-dihydroquinolin-1(2H)-yl)-3-oxopropanenitrile?
The molecular weight of 3-(3,4-dihydroquinolin-1(2H)-yl)-3-oxopropanenitrile is 200.09 g/mol.
Where can I buy 3-(3,4-dihydroquinolin-1(2H)-yl)-3-oxopropanenitrile?
You can request a quote for 3-(3,4-dihydroquinolin-1(2H)-yl)-3-oxopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-dihydroquinolin-1(2H)-yl)-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-dihydroquinolin-1(2H)-yl)-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.