2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone
TL;DR: 2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone (CAS 925112-92-1) is a chemical compound with molecular formula C20H25N5O2S and molecular weight 399.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone
Also Known As: 2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone, 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone, 2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]ethanone
| Molecular Formula | C20H25N5O2S |
|---|---|
| Molecular Weight | 399.17 g/mol |
| LogP | 3.39974 |
| Topological Polar Surface Area | 74.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 399.17288 |
| Heavy Atoms | 28 |
| Complexity | 949.1643 |
Chemical Identifiers
| CAS Number | 925112-92-1 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)C2=C(N(C(=C2)C)CCOC)C)C3=CC=NC=C3 |
Product Overview
2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone (CAS 925112-92-1), with molecular formula C20H25N5O2S and molecular weight 399.17 g/mol. IUPAC: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]ethanone.
Chemical Property Profile of 2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone
Property Insights of 2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone
The XLogP value of 3.39974 indicates that 2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone. Following Lipinski's Rule of Five, 2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone has 0 hydrogen bond donor(s) and 6 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 2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
The CAS number of 2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone is 925112-92-1.
What is the molecular formula of 2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
The molecular formula of 2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone is C20H25N5O2S.
What is the molecular weight of 2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
The molecular weight of 2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone is 399.17 g/mol.
Where can I buy 2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
You can request a quote for 2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.