![2-(4-ethyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyrazine structure](/static/products/1164/1164461-50-0.webp)
2-(4-ethyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyrazine
TL;DR: 2-(4-ethyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyrazine (CAS 1164461-50-0) is a chemical compound with molecular formula C17H17N5S and molecular weight 323.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-ethyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]pyrazine
Also Known As: 2-(4-ethyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyrazine, (E)-2-(5-(cinnamylthio)-4-ethyl-4H-1,2,4-triazol-3-yl)pyrazine, 2-[4-ethyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]pyrazine
| Molecular Formula | C17H17N5S |
|---|---|
| Molecular Weight | 323.12 g/mol |
| LogP | 3.5605 |
| Topological Polar Surface Area | 56.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.12045 |
| Heavy Atoms | 23 |
| Complexity | 768.1925 |
Chemical Identifiers
| CAS Number | 1164461-50-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SC/C=C/C2=CC=CC=C2)C3=NC=CN=C3 |
Product Overview
2-(4-ethyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyrazine (CAS 1164461-50-0), with molecular formula C17H17N5S and molecular weight 323.12 g/mol. IUPAC: 2-[4-ethyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]pyrazine.
Chemical Property Profile of 2-(4-ethyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyrazine
Property Insights of 2-(4-ethyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyrazine
The XLogP value of 3.5605 indicates that 2-(4-ethyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyrazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.49 Ų, 2-(4-ethyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyrazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-ethyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyrazine 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 2-(4-ethyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyrazine?
The CAS number of 2-(4-ethyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyrazine is 1164461-50-0.
What is the molecular formula of 2-(4-ethyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyrazine?
The molecular formula of 2-(4-ethyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyrazine is C17H17N5S.
What is the molecular weight of 2-(4-ethyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyrazine?
The molecular weight of 2-(4-ethyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyrazine is 323.12 g/mol.
Where can I buy 2-(4-ethyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyrazine?
You can request a quote for 2-(4-ethyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyrazine 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-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyrazine?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-ethyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.