![2-[5-[(4-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine structure](/static/products/896/896809-14-6.png)
2-[5-[(4-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine
TL;DR: 2-[5-[(4-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine (CAS 896809-14-6) is a chemical compound with molecular formula C21H17BrN4OS and molecular weight 452.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(4-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine
Also Known As: 2-[5-[(4-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine, 1-{3-[(4-bromophenyl)methylthio]-5-(2-pyridyl)(1,2,4-triazol-4-yl)}-4-methoxyb enzene, 2-(5-((4-bromobenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine, 2-{5-[(4-bromobenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl}pyridine, 2-(5-{[(4-bromophenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine
| Molecular Formula | C21H17BrN4OS |
|---|---|
| Molecular Weight | 452.03 g/mol |
| LogP | 5.3927 |
| Topological Polar Surface Area | 52.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.03064 |
| Heavy Atoms | 28 |
| Complexity | 1050.228 |
Chemical Identifiers
| CAS Number | 896809-14-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=CC=N4 |
Product Overview
2-[5-[(4-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine (CAS 896809-14-6), with molecular formula C21H17BrN4OS and molecular weight 452.03 g/mol. IUPAC: 2-[5-[(4-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 2-[5-[(4-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine
Property Insights of 2-[5-[(4-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine
The XLogP value of 5.3927 indicates that 2-[5-[(4-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-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 52.83 Ų, 2-[5-[(4-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-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-[(4-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[5-[(4-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine?
The CAS number of 2-[5-[(4-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine is 896809-14-6.
What is the molecular formula of 2-[5-[(4-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine?
The molecular formula of 2-[5-[(4-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine is C21H17BrN4OS.
What is the molecular weight of 2-[5-[(4-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine?
The molecular weight of 2-[5-[(4-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine is 452.03 g/mol.
Where can I buy 2-[5-[(4-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine?
You can request a quote for 2-[5-[(4-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-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-[(4-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-[(4-bromophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.