1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)ethanone
TL;DR: 1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)ethanone (CAS 938008-71-0) is a chemical compound with molecular formula C21H26N4O2S and molecular weight 398.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
| Molecular Formula | C21H26N4O2S |
|---|---|
| Molecular Weight | 398.18 g/mol |
| LogP | 4.38684 |
| Topological Polar Surface Area | 61.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 398.17764 |
| Heavy Atoms | 28 |
| Complexity | 973.2047 |
Chemical Identifiers
| CAS Number | 938008-71-0 |
|---|---|
| SMILES | CCN1C(=CC(=C1C)C(=O)CSC2=NN=C(N2CC)C3=CC=C(C=C3)OC)C |
Product Overview
1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)ethanone (CAS 938008-71-0), with molecular formula C21H26N4O2S and molecular weight 398.18 g/mol. IUPAC: 1-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)ethanone
Property Insights of 1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)ethanone
The XLogP value of 4.38684 indicates that 1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)ethanone. Following Lipinski's Rule of Five, 1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)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-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
The CAS number of 1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)ethanone is 938008-71-0.
What is the molecular formula of 1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
The molecular formula of 1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)ethanone is C21H26N4O2S.
What is the molecular weight of 1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
The molecular weight of 1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)ethanone is 398.18 g/mol.
Where can I buy 1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
You can request a quote for 1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)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-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.