2-((4-chlorophenyl)thio)-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone
TL;DR: 2-((4-chlorophenyl)thio)-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone (CAS 403834-08-2) is a chemical compound with molecular formula C17H16ClNOS and molecular weight 317.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
Also Known As: IFLab1_004517, IDI1_010272, F1016-0146, 2-((4-chlorophenyl)thio)-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone, 2-[(4-chlorophenyl)sulfanyl]-1-(1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one
| Molecular Formula | C17H16ClNOS |
|---|---|
| Molecular Weight | 317.06 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.06412 |
| Heavy Atoms | 21 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 403834-08-2 |
|---|---|
| SMILES | C1CC2=CC=CC=C2N(C1)C(=O)CSC3=CC=C(C=C3)Cl |
| InChIKey | AHCYZBZRGRXYJK-UHFFFAOYSA-N |
Product Overview
2-((4-chlorophenyl)thio)-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone (CAS 403834-08-2), with molecular formula C17H16ClNOS and molecular weight 317.06 g/mol. IUPAC: 2-(4-chlorophenyl)sulfanyl-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.
Chemical Property Profile of 2-((4-chlorophenyl)thio)-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone
Property Insights of 2-((4-chlorophenyl)thio)-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone
The XLogP value of 4.5 indicates that 2-((4-chlorophenyl)thio)-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, 2-((4-chlorophenyl)thio)-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-chlorophenyl)thio)-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone 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 2-((4-chlorophenyl)thio)-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone?
The CAS number of 2-((4-chlorophenyl)thio)-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone is 403834-08-2.
What is the molecular formula of 2-((4-chlorophenyl)thio)-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone?
The molecular formula of 2-((4-chlorophenyl)thio)-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone is C17H16ClNOS.
What is the molecular weight of 2-((4-chlorophenyl)thio)-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone?
The molecular weight of 2-((4-chlorophenyl)thio)-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone is 317.06 g/mol.
Where can I buy 2-((4-chlorophenyl)thio)-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone?
You can request a quote for 2-((4-chlorophenyl)thio)-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-chlorophenyl)thio)-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-chlorophenyl)thio)-1-(3,4-dihydroquinolin-1(2H)-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.