3-((2E)-3-phenylprop-2-enylthio)-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole
TL;DR: 3-((2E)-3-phenylprop-2-enylthio)-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole (CAS 468079-63-2) is a chemical compound with molecular formula C19H18N4S and molecular weight 334.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine
Also Known As: 3-((2E)-3-phenylprop-2-enylthio)-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole, (E)-4-(4-allyl-5-(cinnamylthio)-4H-1,2,4-triazol-3-yl)pyridine, 4-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine, 4-[5-{[(2E)-3-phenylprop-2-en-1-yl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]pyridine
| Molecular Formula | C19H18N4S |
|---|---|
| Molecular Weight | 334.13 g/mol |
| LogP | 4.3316 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 334.1252 |
| Heavy Atoms | 24 |
| Complexity | 809.8979 |
Chemical Identifiers
| CAS Number | 468079-63-2 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SC/C=C/C2=CC=CC=C2)C3=CC=NC=C3 |
Product Overview
3-((2E)-3-phenylprop-2-enylthio)-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole (CAS 468079-63-2), with molecular formula C19H18N4S and molecular weight 334.13 g/mol. IUPAC: 4-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 3-((2E)-3-phenylprop-2-enylthio)-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole
Property Insights of 3-((2E)-3-phenylprop-2-enylthio)-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole
The XLogP value of 4.3316 indicates that 3-((2E)-3-phenylprop-2-enylthio)-4-prop-2-enyl-5-(4-pyridyl)-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 43.6 Ų, 3-((2E)-3-phenylprop-2-enylthio)-4-prop-2-enyl-5-(4-pyridyl)-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-enylthio)-4-prop-2-enyl-5-(4-pyridyl)-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-enylthio)-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole?
The CAS number of 3-((2E)-3-phenylprop-2-enylthio)-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole is 468079-63-2.
What is the molecular formula of 3-((2E)-3-phenylprop-2-enylthio)-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole?
The molecular formula of 3-((2E)-3-phenylprop-2-enylthio)-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole is C19H18N4S.
What is the molecular weight of 3-((2E)-3-phenylprop-2-enylthio)-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole?
The molecular weight of 3-((2E)-3-phenylprop-2-enylthio)-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole is 334.13 g/mol.
Where can I buy 3-((2E)-3-phenylprop-2-enylthio)-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole?
You can request a quote for 3-((2E)-3-phenylprop-2-enylthio)-4-prop-2-enyl-5-(4-pyridyl)-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-enylthio)-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-((2E)-3-phenylprop-2-enylthio)-4-prop-2-enyl-5-(4-pyridyl)-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.