![4-[4-(4-bromophenyl)-5-(1,3-dioxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine structure](/static/products/577/577959-76-3.png)
4-[4-(4-bromophenyl)-5-(1,3-dioxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine
TL;DR: 4-[4-(4-bromophenyl)-5-(1,3-dioxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine (CAS 577959-76-3) is a chemical compound with molecular formula C17H15BrN4O2S and molecular weight 418.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-bromophenyl)-5-(1,3-dioxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine
Also Known As: 4-[4-(4-bromophenyl)-5-(1,3-dioxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine, 4-(5-(((1,3-dioxolan-2-yl)methyl)thio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl)pyridine, 4-[4-(4-bromophenyl)-5-[(1,3-dioxolan-2-ylmethyl)sulfanyl]-4H-1,2,4-triazol-3-yl]pyridine
| Molecular Formula | C17H15BrN4O2S |
|---|---|
| Molecular Weight | 418.01 g/mol |
| LogP | 3.5568 |
| Topological Polar Surface Area | 62.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.00992 |
| Heavy Atoms | 25 |
| Complexity | 835.614 |
Chemical Identifiers
| CAS Number | 577959-76-3 |
|---|---|
| SMILES | C1COC(O1)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4 |
Product Overview
4-[4-(4-bromophenyl)-5-(1,3-dioxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine (CAS 577959-76-3), with molecular formula C17H15BrN4O2S and molecular weight 418.01 g/mol. IUPAC: 4-[4-(4-bromophenyl)-5-(1,3-dioxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 4-[4-(4-bromophenyl)-5-(1,3-dioxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine
Property Insights of 4-[4-(4-bromophenyl)-5-(1,3-dioxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine
The XLogP value of 3.5568 indicates that 4-[4-(4-bromophenyl)-5-(1,3-dioxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(4-bromophenyl)-5-(1,3-dioxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine. Following Lipinski's Rule of Five, 4-[4-(4-bromophenyl)-5-(1,3-dioxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine has 0 hydrogen bond donor(s) and 6 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 4-[4-(4-bromophenyl)-5-(1,3-dioxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine?
The CAS number of 4-[4-(4-bromophenyl)-5-(1,3-dioxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine is 577959-76-3.
What is the molecular formula of 4-[4-(4-bromophenyl)-5-(1,3-dioxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine?
The molecular formula of 4-[4-(4-bromophenyl)-5-(1,3-dioxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine is C17H15BrN4O2S.
What is the molecular weight of 4-[4-(4-bromophenyl)-5-(1,3-dioxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine?
The molecular weight of 4-[4-(4-bromophenyl)-5-(1,3-dioxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine is 418.01 g/mol.
Where can I buy 4-[4-(4-bromophenyl)-5-(1,3-dioxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine?
You can request a quote for 4-[4-(4-bromophenyl)-5-(1,3-dioxolan-2-ylmethylsulfanyl)-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 4-[4-(4-bromophenyl)-5-(1,3-dioxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(4-bromophenyl)-5-(1,3-dioxolan-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.