![3-[(6-Bromo-3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile structure](/static/products/489/489414-06-4.png)
3-[(6-Bromo-3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile
TL;DR: 3-[(6-Bromo-3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile (CAS 489414-06-4) is a chemical compound with molecular formula C17H19BrN2S and molecular weight 362.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-bromo-3-butyl-2-methylquinolin-4-yl)sulfanylpropanenitrile
Also Known As: 3-(6-bromo-3-butyl-2-methylquinolin-4-yl)sulfanylpropanenitrile, 3-[(6-bromo-3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile, 3-(6-Bromo-3-butyl-2-methyl-quinolin-4-ylsulfanyl)-propionitrile, 3-((6-bromo-3-butyl-2-methylquinolin-4-yl)thio)propanenitrile, 3-[(6-bromo-3-butyl-2-methyl-4-quinolyl)thio]propionitrile
| Molecular Formula | C17H19BrN2S |
|---|---|
| Molecular Weight | 362.05 g/mol |
| LogP | 5.6541 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.04523 |
| Heavy Atoms | 21 |
| Complexity | 676.52496 |
Chemical Identifiers
| CAS Number | 489414-06-4 |
|---|---|
| SMILES | CCCCC1=C(N=C2C=CC(=CC2=C1SCCC#N)Br)C |
Product Overview
3-[(6-Bromo-3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile (CAS 489414-06-4), with molecular formula C17H19BrN2S and molecular weight 362.05 g/mol. IUPAC: 3-(6-bromo-3-butyl-2-methylquinolin-4-yl)sulfanylpropanenitrile.
Chemical Property Profile of 3-[(6-Bromo-3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile
Property Insights of 3-[(6-Bromo-3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile
The XLogP value of 5.6541 indicates that 3-[(6-Bromo-3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.68 Ų, 3-[(6-Bromo-3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(6-Bromo-3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(6-Bromo-3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile?
The CAS number of 3-[(6-Bromo-3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile is 489414-06-4.
What is the molecular formula of 3-[(6-Bromo-3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile?
The molecular formula of 3-[(6-Bromo-3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile is C17H19BrN2S.
What is the molecular weight of 3-[(6-Bromo-3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile?
The molecular weight of 3-[(6-Bromo-3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile is 362.05 g/mol.
Where can I buy 3-[(6-Bromo-3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile?
You can request a quote for 3-[(6-Bromo-3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(6-Bromo-3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(6-Bromo-3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.