![3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole structure](/static/products/116/1164524-70-2.png)
3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole
TL;DR: 3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole (CAS 1164524-70-2) is a chemical compound with molecular formula C19H19N3S2 and molecular weight 353.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-3-phenylprop-2-enyl]sulfanyl-4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole
Also Known As: 3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole, 4-allyl-3-(cinnamylthio)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole, 3-((2E)-3-phenylprop-2-enylthio)-4-prop-2-enyl-5-(2-thienylmethyl)-1,2,4-triaz ole, 3-[(E)-3-phenylprop-2-enyl]sulfanyl-4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole, 4-Allyl-3-((E)-3-phenyl-allylsulfanyl)-5-thiophen-2-ylmethyl-4H-[1,2,4]triazole
| Molecular Formula | C19H19N3S2 |
|---|---|
| Molecular Weight | 353.10 g/mol |
| LogP | 4.9219 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 353.10205 |
| Heavy Atoms | 24 |
| Complexity | 789.39844 |
Chemical Identifiers
| CAS Number | 1164524-70-2 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SC/C=C/C2=CC=CC=C2)CC3=CC=CS3 |
Product Overview
3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole (CAS 1164524-70-2), with molecular formula C19H19N3S2 and molecular weight 353.10 g/mol. IUPAC: 3-[(E)-3-phenylprop-2-enyl]sulfanyl-4-prop-2-enyl-5-(thiophen-2-ylmethyl)-1,2,4-triazole.
Chemical Property Profile of 3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole
Property Insights of 3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole
The XLogP value of 4.9219 indicates that 3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-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, 3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-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 3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole?
The CAS number of 3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole is 1164524-70-2.
What is the molecular formula of 3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole?
The molecular formula of 3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole is C19H19N3S2.
What is the molecular weight of 3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole?
The molecular weight of 3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole is 353.10 g/mol.
Where can I buy 3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole?
You can request a quote for 3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-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 3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.