![3-[(3-Bromophenyl)methylthio]-4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazole structure](/static/products/6765/676589-38-1.webp)
3-[(3-Bromophenyl)methylthio]-4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazole
TL;DR: 3-[(3-Bromophenyl)methylthio]-4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazole (CAS 676589-38-1) is a chemical compound with molecular formula C17H15BrN4S and molecular weight 386.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine
Also Known As: 3-[(3-bromophenyl)methylthio]-4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazole, 2-(4-allyl-5-((3-bromobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine, 2-[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine, 2-{5-[(3-bromobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}pyridine, 2-(5-{[(3-bromophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)pyridine
| Molecular Formula | C17H15BrN4S |
|---|---|
| Molecular Weight | 386.02 g/mol |
| LogP | 4.5809 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.02008 |
| Heavy Atoms | 23 |
| Complexity | 801.36285 |
Chemical Identifiers
| CAS Number | 676589-38-1 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC2=CC(=CC=C2)Br)C3=CC=CC=N3 |
Product Overview
3-[(3-Bromophenyl)methylthio]-4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazole (CAS 676589-38-1), with molecular formula C17H15BrN4S and molecular weight 386.02 g/mol. IUPAC: 2-[5-[(3-bromophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 3-[(3-Bromophenyl)methylthio]-4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazole
Property Insights of 3-[(3-Bromophenyl)methylthio]-4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazole
The XLogP value of 4.5809 indicates that 3-[(3-Bromophenyl)methylthio]-4-prop-2-enyl-5-(2-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-[(3-Bromophenyl)methylthio]-4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3-Bromophenyl)methylthio]-4-prop-2-enyl-5-(2-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-[(3-Bromophenyl)methylthio]-4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazole?
The CAS number of 3-[(3-Bromophenyl)methylthio]-4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazole is 676589-38-1.
What is the molecular formula of 3-[(3-Bromophenyl)methylthio]-4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazole?
The molecular formula of 3-[(3-Bromophenyl)methylthio]-4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazole is C17H15BrN4S.
What is the molecular weight of 3-[(3-Bromophenyl)methylthio]-4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazole?
The molecular weight of 3-[(3-Bromophenyl)methylthio]-4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazole is 386.02 g/mol.
Where can I buy 3-[(3-Bromophenyl)methylthio]-4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazole?
You can request a quote for 3-[(3-Bromophenyl)methylthio]-4-prop-2-enyl-5-(2-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-[(3-Bromophenyl)methylthio]-4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-Bromophenyl)methylthio]-4-prop-2-enyl-5-(2-pyridyl)-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.