1-(1,3-Benzodioxol-5-yl)-2-(2-quinolinylthio)ethanone
TL;DR: 1-(1,3-Benzodioxol-5-yl)-2-(2-quinolinylthio)ethanone (CAS 690642-95-6) is a chemical compound with molecular formula C18H13NO3S and molecular weight 323.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-2-quinolin-2-ylsulfanylethanone
Also Known As: 1-(1,3-benzodioxol-5-yl)-2-(2-quinolinylthio)ethanone, VU0158819-4, 1-(1,3-benzodioxol-5-yl)-2-quinolin-2-ylsulfanylethanone, 1-(2H-1,3-benzodioxol-5-yl)-2-(quinolin-2-ylsulfanyl)ethan-1-one, 1-(2H-1,3-benzodioxol-5-yl)-2-(2-quinolylthio)-1-ethanone
| Molecular Formula | C18H13NO3S |
|---|---|
| Molecular Weight | 323.06 g/mol |
| LogP | 3.9385 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.0616 |
| Heavy Atoms | 23 |
| Complexity | 894.32404 |
Chemical Identifiers
| CAS Number | 690642-95-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4C=C3 |
Product Overview
1-(1,3-Benzodioxol-5-yl)-2-(2-quinolinylthio)ethanone (CAS 690642-95-6), with molecular formula C18H13NO3S and molecular weight 323.06 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-quinolin-2-ylsulfanylethanone.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)-2-(2-quinolinylthio)ethanone
Property Insights of 1-(1,3-Benzodioxol-5-yl)-2-(2-quinolinylthio)ethanone
The XLogP value of 3.9385 indicates that 1-(1,3-Benzodioxol-5-yl)-2-(2-quinolinylthio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.42 Ų, 1-(1,3-Benzodioxol-5-yl)-2-(2-quinolinylthio)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)-2-(2-quinolinylthio)ethanone 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 1-(1,3-Benzodioxol-5-yl)-2-(2-quinolinylthio)ethanone?
The CAS number of 1-(1,3-Benzodioxol-5-yl)-2-(2-quinolinylthio)ethanone is 690642-95-6.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)-2-(2-quinolinylthio)ethanone?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)-2-(2-quinolinylthio)ethanone is C18H13NO3S.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)-2-(2-quinolinylthio)ethanone?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)-2-(2-quinolinylthio)ethanone is 323.06 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)-2-(2-quinolinylthio)ethanone?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)-2-(2-quinolinylthio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzodioxol-5-yl)-2-(2-quinolinylthio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)-2-(2-quinolinylthio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.