(Z)-4-ethyl-3-((3-phenylallyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazole
TL;DR: (Z)-4-ethyl-3-((3-phenylallyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazole (CAS 501112-80-7) is a chemical compound with molecular formula C17H17N3S2 and molecular weight 327.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3-[(Z)-3-phenylprop-2-enyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazole
Also Known As: F1259-0007, (Z)-4-ethyl-3-((3-phenylallyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazole, 4-ethyl-3-[(Z)-3-phenylprop-2-enyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazole, 4-ethyl-3-[(Z)-3-phenyl-2-propenylthio]-5-(2-thienyl)-4H-1,2,4-triazole, 4-ethyl-3-{[(2Z)-3-phenylprop-2-en-1-yl]sulfanyl}-5-(thiophen-2-yl)-4H-1,2,4-triazole
| Molecular Formula | C17H17N3S2 |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | 4.832 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.0864 |
| Heavy Atoms | 22 |
| Complexity | 730.6221 |
Chemical Identifiers
| CAS Number | 501112-80-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SC/C=C\C2=CC=CC=C2)C3=CC=CS3 |
Product Overview
(Z)-4-ethyl-3-((3-phenylallyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazole (CAS 501112-80-7), with molecular formula C17H17N3S2 and molecular weight 327.09 g/mol. IUPAC: 4-ethyl-3-[(Z)-3-phenylprop-2-enyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazole.
Chemical Property Profile of (Z)-4-ethyl-3-((3-phenylallyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazole
Property Insights of (Z)-4-ethyl-3-((3-phenylallyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazole
The XLogP value of 4.832 indicates that (Z)-4-ethyl-3-((3-phenylallyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, (Z)-4-ethyl-3-((3-phenylallyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-4-ethyl-3-((3-phenylallyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazole 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 (Z)-4-ethyl-3-((3-phenylallyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazole?
The CAS number of (Z)-4-ethyl-3-((3-phenylallyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazole is 501112-80-7.
What is the molecular formula of (Z)-4-ethyl-3-((3-phenylallyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazole?
The molecular formula of (Z)-4-ethyl-3-((3-phenylallyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazole is C17H17N3S2.
What is the molecular weight of (Z)-4-ethyl-3-((3-phenylallyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazole?
The molecular weight of (Z)-4-ethyl-3-((3-phenylallyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazole is 327.09 g/mol.
Where can I buy (Z)-4-ethyl-3-((3-phenylallyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazole?
You can request a quote for (Z)-4-ethyl-3-((3-phenylallyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-ethyl-3-((3-phenylallyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-ethyl-3-((3-phenylallyl)thio)-5-(thiophen-2-yl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.