3-(3-Butyl-2-methyl-quinolin-4-ylsulfanyl)-propionitrile
TL;DR: 3-(3-Butyl-2-methyl-quinolin-4-ylsulfanyl)-propionitrile (CAS 487023-34-7) is a chemical compound with molecular formula C17H20N2S and molecular weight 284.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-butyl-2-methylquinolin-4-yl)sulfanylpropanenitrile
Also Known As: 3-((3-butyl-2-methylquinolin-4-yl)thio)propanenitrile, 3-(3-butyl-2-methylquinolin-4-yl)sulfanylpropanenitrile, 3-(3-Butyl-2-methyl-quinolin-4-ylsulfanyl)-propionitrile, 3-[(3-butyl-2-methylquinolin-4-yl)sulfanyl]propanenitrile
| Molecular Formula | C17H20N2S |
|---|---|
| Molecular Weight | 284.13 g/mol |
| LogP | 4.8916 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.1347 |
| Heavy Atoms | 20 |
| Complexity | 628.65796 |
Chemical Identifiers
| CAS Number | 487023-34-7 |
|---|---|
| SMILES | CCCCC1=C(C2=CC=CC=C2N=C1C)SCCC#N |
Product Overview
3-(3-Butyl-2-methyl-quinolin-4-ylsulfanyl)-propionitrile (CAS 487023-34-7), with molecular formula C17H20N2S and molecular weight 284.13 g/mol. IUPAC: 3-(3-butyl-2-methylquinolin-4-yl)sulfanylpropanenitrile.
Chemical Property Profile of 3-(3-Butyl-2-methyl-quinolin-4-ylsulfanyl)-propionitrile
Property Insights of 3-(3-Butyl-2-methyl-quinolin-4-ylsulfanyl)-propionitrile
The XLogP value of 4.8916 indicates that 3-(3-Butyl-2-methyl-quinolin-4-ylsulfanyl)-propionitrile 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-(3-Butyl-2-methyl-quinolin-4-ylsulfanyl)-propionitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Butyl-2-methyl-quinolin-4-ylsulfanyl)-propionitrile has 0 hydrogen bond donor(s) and 3 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-Butyl-2-methyl-quinolin-4-ylsulfanyl)-propionitrile?
The CAS number of 3-(3-Butyl-2-methyl-quinolin-4-ylsulfanyl)-propionitrile is 487023-34-7.
What is the molecular formula of 3-(3-Butyl-2-methyl-quinolin-4-ylsulfanyl)-propionitrile?
The molecular formula of 3-(3-Butyl-2-methyl-quinolin-4-ylsulfanyl)-propionitrile is C17H20N2S.
What is the molecular weight of 3-(3-Butyl-2-methyl-quinolin-4-ylsulfanyl)-propionitrile?
The molecular weight of 3-(3-Butyl-2-methyl-quinolin-4-ylsulfanyl)-propionitrile is 284.13 g/mol.
Where can I buy 3-(3-Butyl-2-methyl-quinolin-4-ylsulfanyl)-propionitrile?
You can request a quote for 3-(3-Butyl-2-methyl-quinolin-4-ylsulfanyl)-propionitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Butyl-2-methyl-quinolin-4-ylsulfanyl)-propionitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Butyl-2-methyl-quinolin-4-ylsulfanyl)-propionitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.