2-(5-(Cinnamylthio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyridine
TL;DR: 2-(5-(Cinnamylthio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyridine (CAS 578736-18-2) is a chemical compound with molecular formula C18H18N4S and molecular weight 322.13 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]pyridine
Also Known As: 2-(4-ethyl-5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4H-1,2,4-triazol-3-yl)pyridine, 2-(5-(Cinnamylthio)-4-ethyl-4H-1,2,4-triazol-3-yl)pyridine, 2-[4-ethyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]pyridine, (E)-2-(5-(cinnamylthio)-4-ethyl-4H-1,2,4-triazol-3-yl)pyridine, cinnamyl 4-ethyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl sulfide
| Molecular Formula | C18H18N4S |
|---|---|
| Molecular Weight | 322.13 g/mol |
| LogP | 4.1655 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 322.1252 |
| Heavy Atoms | 23 |
| Complexity | 766.2304 |
Chemical Identifiers
| CAS Number | 578736-18-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SC/C=C/C2=CC=CC=C2)C3=CC=CC=N3 |
Product Overview
2-(5-(Cinnamylthio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyridine (CAS 578736-18-2), with molecular formula C18H18N4S and molecular weight 322.13 g/mol. IUPAC: 2-[4-ethyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 2-(5-(Cinnamylthio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyridine
Property Insights of 2-(5-(Cinnamylthio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyridine
The XLogP value of 4.1655 indicates that 2-(5-(Cinnamylthio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 2-(5-(Cinnamylthio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(5-(Cinnamylthio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyridine has 0 hydrogen bond donor(s) and 4 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-(5-(Cinnamylthio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyridine?
The CAS number of 2-(5-(Cinnamylthio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyridine is 578736-18-2.
What is the molecular formula of 2-(5-(Cinnamylthio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyridine?
The molecular formula of 2-(5-(Cinnamylthio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyridine is C18H18N4S.
What is the molecular weight of 2-(5-(Cinnamylthio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyridine?
The molecular weight of 2-(5-(Cinnamylthio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyridine is 322.13 g/mol.
Where can I buy 2-(5-(Cinnamylthio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyridine?
You can request a quote for 2-(5-(Cinnamylthio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5-(Cinnamylthio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-(5-(Cinnamylthio)-4-ethyl-4H-1,2,4-triazol-3-YL)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.