3-(6-Bromo-3-ethyl-2-methylquinolin-4-yl)sulfanylpropanenitrile
TL;DR: 3-(6-Bromo-3-ethyl-2-methylquinolin-4-yl)sulfanylpropanenitrile (CAS 488860-60-2) is a chemical compound with molecular formula C15H15BrN2S and molecular weight 334.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(6-bromo-3-ethyl-2-methylquinolin-4-yl)sulfanylpropanenitrile
Also Known As: 3-((6-Bromo-3-ethyl-2-methylquinolin-4-yl)thio)propanenitrile, 3-(6-bromo-3-ethyl-2-methylquinolin-4-yl)sulfanylpropanenitrile, 3-(6-Bromo-3-ethyl-2-methyl-quinolin-4-ylsulfanyl)-propionitrile, 3-[(6-bromo-3-ethyl-2-methyl-4-quinolinyl)thio]propanenitrile, 3-[(6-bromo-3-ethyl-2-methyl-4-quinolyl)thio]propionitrile
| Molecular Formula | C15H15BrN2S |
|---|---|
| Molecular Weight | 334.01 g/mol |
| LogP | 4.8739 |
| Topological Polar Surface Area | 36.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.01392 |
| Heavy Atoms | 19 |
| Complexity | 646.61615 |
Chemical Identifiers
| CAS Number | 488860-60-2 |
|---|---|
| SMILES | CCC1=C(N=C2C=CC(=CC2=C1SCCC#N)Br)C |
Product Overview
3-(6-Bromo-3-ethyl-2-methylquinolin-4-yl)sulfanylpropanenitrile (CAS 488860-60-2), with molecular formula C15H15BrN2S and molecular weight 334.01 g/mol. IUPAC: 3-(6-bromo-3-ethyl-2-methylquinolin-4-yl)sulfanylpropanenitrile.
Chemical Property Profile of 3-(6-Bromo-3-ethyl-2-methylquinolin-4-yl)sulfanylpropanenitrile
Property Insights of 3-(6-Bromo-3-ethyl-2-methylquinolin-4-yl)sulfanylpropanenitrile
The XLogP value of 4.8739 indicates that 3-(6-Bromo-3-ethyl-2-methylquinolin-4-yl)sulfanylpropanenitrile 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-ethyl-2-methylquinolin-4-yl)sulfanylpropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(6-Bromo-3-ethyl-2-methylquinolin-4-yl)sulfanylpropanenitrile 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-(6-Bromo-3-ethyl-2-methylquinolin-4-yl)sulfanylpropanenitrile?
The CAS number of 3-(6-Bromo-3-ethyl-2-methylquinolin-4-yl)sulfanylpropanenitrile is 488860-60-2.
What is the molecular formula of 3-(6-Bromo-3-ethyl-2-methylquinolin-4-yl)sulfanylpropanenitrile?
The molecular formula of 3-(6-Bromo-3-ethyl-2-methylquinolin-4-yl)sulfanylpropanenitrile is C15H15BrN2S.
What is the molecular weight of 3-(6-Bromo-3-ethyl-2-methylquinolin-4-yl)sulfanylpropanenitrile?
The molecular weight of 3-(6-Bromo-3-ethyl-2-methylquinolin-4-yl)sulfanylpropanenitrile is 334.01 g/mol.
Where can I buy 3-(6-Bromo-3-ethyl-2-methylquinolin-4-yl)sulfanylpropanenitrile?
You can request a quote for 3-(6-Bromo-3-ethyl-2-methylquinolin-4-yl)sulfanylpropanenitrile 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-ethyl-2-methylquinolin-4-yl)sulfanylpropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(6-Bromo-3-ethyl-2-methylquinolin-4-yl)sulfanylpropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.