![1-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone structure](/static/products/5013/501348-95-4.webp)
1-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone
TL;DR: 1-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone (CAS 501348-95-4) is a chemical compound with molecular formula C27H26N4O2S and molecular weight 470.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone
Also Known As: 1-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone, 1-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-({8-methyl-2,4,5-triazatricyclo[7.4.0.0^{2,6}]trideca-1(9),3,5,7,10,12-hexaen-3-yl}sulfanyl)ethan-1-one, 1-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-(5-methyl(10-hydro-1,2,4-tria zolo[4,3-a]quinolinylthio))ethan-1-one, 1-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone
| Molecular Formula | C27H26N4O2S |
|---|---|
| Molecular Weight | 470.18 g/mol |
| LogP | 5.97216 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.17764 |
| Heavy Atoms | 34 |
| Complexity | 1515.7667 |
Chemical Identifiers
| CAS Number | 501348-95-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NN=C4N3C5=CC=CC=C5C(=C4)C)C |
Product Overview
1-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone (CAS 501348-95-4), with molecular formula C27H26N4O2S and molecular weight 470.18 g/mol. IUPAC: 1-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone
Property Insights of 1-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone
The XLogP value of 5.97216 indicates that 1-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone. Following Lipinski's Rule of Five, 1-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone?
The CAS number of 1-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone is 501348-95-4.
What is the molecular formula of 1-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone?
The molecular formula of 1-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone is C27H26N4O2S.
What is the molecular weight of 1-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone?
The molecular weight of 1-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone is 470.18 g/mol.
Where can I buy 1-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone?
You can request a quote for 1-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]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-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-(4-ethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.