3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile
TL;DR: 3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile (CAS 500269-64-7) is a chemical compound with molecular formula C18H22N2OS and molecular weight 314.1453 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylpropanenitrile
Also Known As: 4a95, 3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile, 3-[(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanyl]propanenitrile, 3-((3-butyl-6-methoxy-2-methylquinolin-4-yl)thio)propanenitrile, 3-(3-butyl-6-methoxy-2-methylquinolin-4-yl)sulfanylpropanenitrile
Technical Specifications
| Molecular Formula | C18H22N2OS |
| Molecular Weight | 314.1453 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 71.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 314.1453 Da |
| Heavy Atoms | 22 |
| Complexity | 381.0 |
| SMILES | CCCCC1=C(N=C2C=CC(=CC2=C1SCCC#N)OC)C |
| InChIKey | UJFIVLIFWNFOIZ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile
Property Insights of 3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile
The XLogP value of 4.6 indicates that 3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile. Following Lipinski's Rule of Five, 3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile 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
What is the CAS number of 3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile?
The CAS number of 3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile is 500269-64-7.
What is the molecular formula of 3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile?
The molecular formula of 3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile is C18H22N2OS.
What is the molecular weight of 3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile?
The molecular weight of 3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile is 314.1453 g/mol.
Where can I buy 3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile?
You can request a quote for 3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile?
Yes, CoreyChem provides custom synthesis services for 3-(3-Butyl-6-Methoxy-2-Methyl-Quinolin-4-Yl)sulfanylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.