3-(2-Chloro-6,7-dimethoxy-3-quinolinyl)-1-(2-thienyl)-2-propen-1-one
TL;DR: 3-(2-Chloro-6,7-dimethoxy-3-quinolinyl)-1-(2-thienyl)-2-propen-1-one (CAS 500196-87-2) is a chemical compound with molecular formula C18H14ClNO3S and molecular weight 359.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-chloro-6,7-dimethoxyquinolin-3-yl)-1-thiophen-2-ylprop-2-en-1-one
Also Known As: 3-(2-chloro-6,7-dimethoxy-3-quinolinyl)-1-(2-thienyl)-2-propen-1-one, AP-845/42065519, (E)-3-(2-chloro-6,7-dimethoxyquinolin-3-yl)-1-thiophen-2-ylprop-2-en-1-one, 3-(2-chloro-6,7-dimethoxyquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one, (2E)-3-(2-chloro-6,7-dimethoxyquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one
| Molecular Formula | C18H14ClNO3S |
|---|---|
| Molecular Weight | 359.04 g/mol |
| LogP | 4.863 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.0383 |
| Heavy Atoms | 24 |
| Complexity | 919.6586 |
Chemical Identifiers
| CAS Number | 500196-87-2 |
|---|---|
| SMILES | COC1=CC2=CC(=C(N=C2C=C1OC)Cl)/C=C/C(=O)C3=CC=CS3 |
Product Overview
3-(2-Chloro-6,7-dimethoxy-3-quinolinyl)-1-(2-thienyl)-2-propen-1-one (CAS 500196-87-2), with molecular formula C18H14ClNO3S and molecular weight 359.04 g/mol. IUPAC: (E)-3-(2-chloro-6,7-dimethoxyquinolin-3-yl)-1-thiophen-2-ylprop-2-en-1-one.
Chemical Property Profile of 3-(2-Chloro-6,7-dimethoxy-3-quinolinyl)-1-(2-thienyl)-2-propen-1-one
Property Insights of 3-(2-Chloro-6,7-dimethoxy-3-quinolinyl)-1-(2-thienyl)-2-propen-1-one
The XLogP value of 4.863 indicates that 3-(2-Chloro-6,7-dimethoxy-3-quinolinyl)-1-(2-thienyl)-2-propen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.42 Ų, 3-(2-Chloro-6,7-dimethoxy-3-quinolinyl)-1-(2-thienyl)-2-propen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Chloro-6,7-dimethoxy-3-quinolinyl)-1-(2-thienyl)-2-propen-1-one has 0 hydrogen bond donor(s) and 5 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-(2-Chloro-6,7-dimethoxy-3-quinolinyl)-1-(2-thienyl)-2-propen-1-one?
The CAS number of 3-(2-Chloro-6,7-dimethoxy-3-quinolinyl)-1-(2-thienyl)-2-propen-1-one is 500196-87-2.
What is the molecular formula of 3-(2-Chloro-6,7-dimethoxy-3-quinolinyl)-1-(2-thienyl)-2-propen-1-one?
The molecular formula of 3-(2-Chloro-6,7-dimethoxy-3-quinolinyl)-1-(2-thienyl)-2-propen-1-one is C18H14ClNO3S.
What is the molecular weight of 3-(2-Chloro-6,7-dimethoxy-3-quinolinyl)-1-(2-thienyl)-2-propen-1-one?
The molecular weight of 3-(2-Chloro-6,7-dimethoxy-3-quinolinyl)-1-(2-thienyl)-2-propen-1-one is 359.04 g/mol.
Where can I buy 3-(2-Chloro-6,7-dimethoxy-3-quinolinyl)-1-(2-thienyl)-2-propen-1-one?
You can request a quote for 3-(2-Chloro-6,7-dimethoxy-3-quinolinyl)-1-(2-thienyl)-2-propen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Chloro-6,7-dimethoxy-3-quinolinyl)-1-(2-thienyl)-2-propen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Chloro-6,7-dimethoxy-3-quinolinyl)-1-(2-thienyl)-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.