3-(5-(Benzylthio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-YL)pyridine
TL;DR: 3-(5-(Benzylthio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-YL)pyridine (CAS 477329-80-9) is a chemical compound with molecular formula C20H15BrN4S and molecular weight 422.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-benzylsulfanyl-4-(4-bromophenyl)-1,2,4-triazol-3-yl]pyridine
Also Known As: 3-(5-(Benzylthio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl)pyridine, 3-[5-(benzylsulfanyl)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]pyridine, 3-[5-benzylsulfanyl-4-(4-bromophenyl)-1,2,4-triazol-3-yl]pyridine, 3-[5-(BENZYLSULFANYL)-4-(4-BROMOPHENYL)-1,2,4-TRIAZOL-3-YL]PYRIDINE, 650-765-5
| Molecular Formula | C20H15BrN4S |
|---|---|
| Molecular Weight | 422.02 g/mol |
| LogP | 5.3841 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.02008 |
| Heavy Atoms | 26 |
| Complexity | 985.52203 |
Chemical Identifiers
| CAS Number | 477329-80-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4 |
Product Overview
3-(5-(Benzylthio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-YL)pyridine (CAS 477329-80-9), with molecular formula C20H15BrN4S and molecular weight 422.02 g/mol. IUPAC: 3-[5-benzylsulfanyl-4-(4-bromophenyl)-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 3-(5-(Benzylthio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-YL)pyridine
Property Insights of 3-(5-(Benzylthio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-YL)pyridine
The XLogP value of 5.3841 indicates that 3-(5-(Benzylthio)-4-(4-bromophenyl)-4H-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 43.6 Ų, 3-(5-(Benzylthio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-YL)pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5-(Benzylthio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-YL)pyridine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(5-(Benzylthio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-YL)pyridine?
The CAS number of 3-(5-(Benzylthio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-YL)pyridine is 477329-80-9.
What is the molecular formula of 3-(5-(Benzylthio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-YL)pyridine?
The molecular formula of 3-(5-(Benzylthio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-YL)pyridine is C20H15BrN4S.
What is the molecular weight of 3-(5-(Benzylthio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-YL)pyridine?
The molecular weight of 3-(5-(Benzylthio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-YL)pyridine is 422.02 g/mol.
Where can I buy 3-(5-(Benzylthio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-YL)pyridine?
You can request a quote for 3-(5-(Benzylthio)-4-(4-bromophenyl)-4H-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 3-(5-(Benzylthio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-YL)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-(Benzylthio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-YL)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.