4-(2,2-Dimethylpropyl)-2-methylthioquinoline
TL;DR: 4-(2,2-Dimethylpropyl)-2-methylthioquinoline (CAS 210834-53-0) is a chemical compound with molecular formula C15H19NS and molecular weight 245.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,2-dimethylpropyl)-2-methylsulfanylquinoline
Also Known As: 2-(methylthio)-4-neopentylquinoline, 2-(methylsulfanyl)-4-neo-pentylquinoline, 4-(2,2-dimethylpropyl)-2-methylthioquinoline, 4-(2,2-dimethylpropyl)-2-methylsulfanylquinoline, 4-(2,2-dimethylpropyl)-2-methylsulfanyl-quinoline
| Molecular Formula | C15H19NS |
|---|---|
| Molecular Weight | 245.12 g/mol |
| LogP | 4.5453 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.12383 |
| Heavy Atoms | 17 |
| Complexity | 525.9231 |
Chemical Identifiers
| CAS Number | 210834-53-0 |
|---|---|
| SMILES | CC(C)(C)CC1=CC(=NC2=CC=CC=C21)SC |
Product Overview
4-(2,2-Dimethylpropyl)-2-methylthioquinoline (CAS 210834-53-0), with molecular formula C15H19NS and molecular weight 245.12 g/mol. IUPAC: 4-(2,2-dimethylpropyl)-2-methylsulfanylquinoline.
Chemical Property Profile of 4-(2,2-Dimethylpropyl)-2-methylthioquinoline
Property Insights of 4-(2,2-Dimethylpropyl)-2-methylthioquinoline
The XLogP value of 4.5453 indicates that 4-(2,2-Dimethylpropyl)-2-methylthioquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 4-(2,2-Dimethylpropyl)-2-methylthioquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,2-Dimethylpropyl)-2-methylthioquinoline 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 4-(2,2-Dimethylpropyl)-2-methylthioquinoline?
The CAS number of 4-(2,2-Dimethylpropyl)-2-methylthioquinoline is 210834-53-0.
What is the molecular formula of 4-(2,2-Dimethylpropyl)-2-methylthioquinoline?
The molecular formula of 4-(2,2-Dimethylpropyl)-2-methylthioquinoline is C15H19NS.
What is the molecular weight of 4-(2,2-Dimethylpropyl)-2-methylthioquinoline?
The molecular weight of 4-(2,2-Dimethylpropyl)-2-methylthioquinoline is 245.12 g/mol.
Where can I buy 4-(2,2-Dimethylpropyl)-2-methylthioquinoline?
You can request a quote for 4-(2,2-Dimethylpropyl)-2-methylthioquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,2-Dimethylpropyl)-2-methylthioquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,2-Dimethylpropyl)-2-methylthioquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.