2-((2-(Dimethylamino)ethyl)thio)-3-phenylquinoline
TL;DR: 2-((2-(Dimethylamino)ethyl)thio)-3-phenylquinoline (CAS 85273-95-6) is a chemical compound with molecular formula C19H20N2S and molecular weight 308.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-(3-phenylquinolin-2-yl)sulfanylethanamine
Also Known As: 2-Detpq, Ici 169369, 2-((2-(dimethylamino)ethyl)thio)-3-phenylquinoline, Ici-169,369, ICI 169369 hydrochloride
| Molecular Formula | C19H20N2S |
|---|---|
| Molecular Weight | 308.13 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 41.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.1347 |
| Heavy Atoms | 22 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 85273-95-6 |
|---|---|
| SMILES | CN(C)CCSC1=NC2=CC=CC=C2C=C1C3=CC=CC=C3 |
| InChIKey | HYOLQGVNMQNERE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-((2-(Dimethylamino)ethyl)thio)-3-phenylquinoline (CAS 85273-95-6), with molecular formula C19H20N2S and molecular weight 308.13 g/mol. IUPAC: N,N-dimethyl-2-(3-phenylquinolin-2-yl)sulfanylethanamine.
Chemical Property Profile of 2-((2-(Dimethylamino)ethyl)thio)-3-phenylquinoline
Property Insights of 2-((2-(Dimethylamino)ethyl)thio)-3-phenylquinoline
The XLogP value of 4.7 indicates that 2-((2-(Dimethylamino)ethyl)thio)-3-phenylquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.4 Ų, 2-((2-(Dimethylamino)ethyl)thio)-3-phenylquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-(Dimethylamino)ethyl)thio)-3-phenylquinoline 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 2-((2-(Dimethylamino)ethyl)thio)-3-phenylquinoline?
The CAS number of 2-((2-(Dimethylamino)ethyl)thio)-3-phenylquinoline is 85273-95-6.
What is the molecular formula of 2-((2-(Dimethylamino)ethyl)thio)-3-phenylquinoline?
The molecular formula of 2-((2-(Dimethylamino)ethyl)thio)-3-phenylquinoline is C19H20N2S.
What is the molecular weight of 2-((2-(Dimethylamino)ethyl)thio)-3-phenylquinoline?
The molecular weight of 2-((2-(Dimethylamino)ethyl)thio)-3-phenylquinoline is 308.13 g/mol.
Where can I buy 2-((2-(Dimethylamino)ethyl)thio)-3-phenylquinoline?
You can request a quote for 2-((2-(Dimethylamino)ethyl)thio)-3-phenylquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-(Dimethylamino)ethyl)thio)-3-phenylquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(Dimethylamino)ethyl)thio)-3-phenylquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.