1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-(quinolin-2-ylthio)ethanone
TL;DR: 1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-(quinolin-2-ylthio)ethanone (CAS 671200-68-3) is a chemical compound with molecular formula C20H22N2O2S and molecular weight 354.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-quinolin-2-ylsulfanylethanone
Also Known As: AQ-750/42050665, 1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-(quinolin-2-ylthio)ethanone, 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-quinolin-2-ylsulfanylethanone, 1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(2-quinolinylsulfanyl)ethanone, 1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(quinolin-2-ylsulfanyl)ethan-1-one
| Molecular Formula | C20H22N2O2S |
|---|---|
| Molecular Weight | 354.14 g/mol |
| LogP | 4.27454 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 354.1402 |
| Heavy Atoms | 25 |
| Complexity | 901.8476 |
Chemical Identifiers
| CAS Number | 671200-68-3 |
|---|---|
| SMILES | CC1=CC(=C(N1CCOC)C)C(=O)CSC2=NC3=CC=CC=C3C=C2 |
Product Overview
1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-(quinolin-2-ylthio)ethanone (CAS 671200-68-3), with molecular formula C20H22N2O2S and molecular weight 354.14 g/mol. IUPAC: 1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-quinolin-2-ylsulfanylethanone.
Chemical Property Profile of 1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-(quinolin-2-ylthio)ethanone
Property Insights of 1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-(quinolin-2-ylthio)ethanone
The XLogP value of 4.27454 indicates that 1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-(quinolin-2-ylthio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, 1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-(quinolin-2-ylthio)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-(quinolin-2-ylthio)ethanone has 0 hydrogen bond donor(s) and 4 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-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-(quinolin-2-ylthio)ethanone?
The CAS number of 1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-(quinolin-2-ylthio)ethanone is 671200-68-3.
What is the molecular formula of 1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-(quinolin-2-ylthio)ethanone?
The molecular formula of 1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-(quinolin-2-ylthio)ethanone is C20H22N2O2S.
What is the molecular weight of 1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-(quinolin-2-ylthio)ethanone?
The molecular weight of 1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-(quinolin-2-ylthio)ethanone is 354.14 g/mol.
Where can I buy 1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-(quinolin-2-ylthio)ethanone?
You can request a quote for 1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-(quinolin-2-ylthio)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-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-(quinolin-2-ylthio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)-2-(quinolin-2-ylthio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.