![N-[2-(methylethyl)phenyl]-2-(4-prop-2-enyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylth io))acetamide structure](/static/products/5870/587001-86-3.webp)
N-[2-(methylethyl)phenyl]-2-(4-prop-2-enyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylth io))acetamide
TL;DR: N-[2-(methylethyl)phenyl]-2-(4-prop-2-enyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylth io))acetamide (CAS 587001-86-3) is a chemical compound with molecular formula C20H22N6OS and molecular weight 394.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-[2-(methylethyl)phenyl]-2-(4-prop-2-enyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylth io))acetamide, 2-((4-allyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-isopropylphenyl)acetamide, 2-{[4-(prop-2-en-1-yl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-(propan-2-yl)phenyl]acetamide, N-(2-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-[2-(propan-2-yl)phenyl]-2-{[4-(prop-2-en-1-yl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C20H22N6OS |
|---|---|
| Molecular Weight | 394.16 g/mol |
| LogP | 3.7753 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 394.1576 |
| Heavy Atoms | 28 |
| Complexity | 954.3396 |
Chemical Identifiers
| CAS Number | 587001-86-3 |
|---|---|
| SMILES | CC(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC=C)C3=NC=CN=C3 |
Product Overview
N-[2-(methylethyl)phenyl]-2-(4-prop-2-enyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylth io))acetamide (CAS 587001-86-3), with molecular formula C20H22N6OS and molecular weight 394.16 g/mol. IUPAC: N-(2-propan-2-ylphenyl)-2-[(4-prop-2-enyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of N-[2-(methylethyl)phenyl]-2-(4-prop-2-enyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylth io))acetamide
Property Insights of N-[2-(methylethyl)phenyl]-2-(4-prop-2-enyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylth io))acetamide
The XLogP value of 3.7753 indicates that N-[2-(methylethyl)phenyl]-2-(4-prop-2-enyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylth io))acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(methylethyl)phenyl]-2-(4-prop-2-enyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylth io))acetamide. Following Lipinski's Rule of Five, N-[2-(methylethyl)phenyl]-2-(4-prop-2-enyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylth io))acetamide has 1 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 N-[2-(methylethyl)phenyl]-2-(4-prop-2-enyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylth io))acetamide?
The CAS number of N-[2-(methylethyl)phenyl]-2-(4-prop-2-enyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylth io))acetamide is 587001-86-3.
What is the molecular formula of N-[2-(methylethyl)phenyl]-2-(4-prop-2-enyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylth io))acetamide?
The molecular formula of N-[2-(methylethyl)phenyl]-2-(4-prop-2-enyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylth io))acetamide is C20H22N6OS.
What is the molecular weight of N-[2-(methylethyl)phenyl]-2-(4-prop-2-enyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylth io))acetamide?
The molecular weight of N-[2-(methylethyl)phenyl]-2-(4-prop-2-enyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylth io))acetamide is 394.16 g/mol.
Where can I buy N-[2-(methylethyl)phenyl]-2-(4-prop-2-enyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylth io))acetamide?
You can request a quote for N-[2-(methylethyl)phenyl]-2-(4-prop-2-enyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylth io))acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(methylethyl)phenyl]-2-(4-prop-2-enyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylth io))acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(methylethyl)phenyl]-2-(4-prop-2-enyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylth io))acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.