1-(1-Pyrrolidinyl)-2-(8-quinolinylthio)ethanone
TL;DR: 1-(1-Pyrrolidinyl)-2-(8-quinolinylthio)ethanone (CAS 452944-10-4) is a chemical compound with molecular formula C15H16N2OS and molecular weight 272.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pyrrolidin-1-yl-2-quinolin-8-ylsulfanylethanone
Also Known As: ML065, 1-pyrrolidin-1-yl-2-quinolin-8-ylsulfanylethanone, SDCCGMLS-0039547.P002, 1-(1-pyrrolidinyl)-2-(8-quinolinylthio)ethanone, 8-{[2-oxo-2-(1-pyrrolidinyl)ethyl]thio}quinoline
| Molecular Formula | C15H16N2OS |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | 2.9493 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.09833 |
| Heavy Atoms | 19 |
| Complexity | 588.2202 |
Chemical Identifiers
| CAS Number | 452944-10-4 |
|---|---|
| SMILES | C1CCN(C1)C(=O)CSC2=CC=CC3=C2N=CC=C3 |
Product Overview
1-(1-Pyrrolidinyl)-2-(8-quinolinylthio)ethanone (CAS 452944-10-4), with molecular formula C15H16N2OS and molecular weight 272.10 g/mol. IUPAC: 1-pyrrolidin-1-yl-2-quinolin-8-ylsulfanylethanone.
Chemical Property Profile of 1-(1-Pyrrolidinyl)-2-(8-quinolinylthio)ethanone
Property Insights of 1-(1-Pyrrolidinyl)-2-(8-quinolinylthio)ethanone
The XLogP value of 2.9493 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Pyrrolidinyl)-2-(8-quinolinylthio)ethanone. With a topological polar surface area (TPSA) of 33.2 Ų, 1-(1-Pyrrolidinyl)-2-(8-quinolinylthio)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Pyrrolidinyl)-2-(8-quinolinylthio)ethanone 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 1-(1-Pyrrolidinyl)-2-(8-quinolinylthio)ethanone?
The CAS number of 1-(1-Pyrrolidinyl)-2-(8-quinolinylthio)ethanone is 452944-10-4.
What is the molecular formula of 1-(1-Pyrrolidinyl)-2-(8-quinolinylthio)ethanone?
The molecular formula of 1-(1-Pyrrolidinyl)-2-(8-quinolinylthio)ethanone is C15H16N2OS.
What is the molecular weight of 1-(1-Pyrrolidinyl)-2-(8-quinolinylthio)ethanone?
The molecular weight of 1-(1-Pyrrolidinyl)-2-(8-quinolinylthio)ethanone is 272.10 g/mol.
Where can I buy 1-(1-Pyrrolidinyl)-2-(8-quinolinylthio)ethanone?
You can request a quote for 1-(1-Pyrrolidinyl)-2-(8-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-Pyrrolidinyl)-2-(8-quinolinylthio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Pyrrolidinyl)-2-(8-quinolinylthio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.