4-Bromobenzyl 4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide
TL;DR: 4-Bromobenzyl 4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide (CAS 477329-65-0) is a chemical compound with molecular formula C20H14Br2N4S and molecular weight 499.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(4-bromophenyl)-5-[(4-bromophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
Also Known As: 4-{5-[(4-bromobenzyl)sulfanyl]-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl}pyridine, 4-(5-((4-Bromobenzyl)thio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl)pyridine, 4-[4-(4-bromophenyl)-5-[(4-bromophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine, 4-[4-(4-bromophenyl)-5-{[(4-bromophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]pyridine, 4-[5-[(4-bromobenzyl)sulfanyl]-4-(4-bromophenyl)-4H-1,2,4-triazol-3-yl]pyridine
| Molecular Formula | C20H14Br2N4S |
|---|---|
| Molecular Weight | 499.93 g/mol |
| LogP | 6.1466 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 499.9306 |
| Heavy Atoms | 27 |
| Complexity | 1032.037 |
Chemical Identifiers
| CAS Number | 477329-65-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4)Br |
Product Overview
4-Bromobenzyl 4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide (CAS 477329-65-0), with molecular formula C20H14Br2N4S and molecular weight 499.93 g/mol. IUPAC: 4-[4-(4-bromophenyl)-5-[(4-bromophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 4-Bromobenzyl 4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide
Property Insights of 4-Bromobenzyl 4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide
The XLogP value of 6.1466 indicates that 4-Bromobenzyl 4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 4-Bromobenzyl 4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromobenzyl 4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide 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 4-Bromobenzyl 4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide?
The CAS number of 4-Bromobenzyl 4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide is 477329-65-0.
What is the molecular formula of 4-Bromobenzyl 4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide?
The molecular formula of 4-Bromobenzyl 4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide is C20H14Br2N4S.
What is the molecular weight of 4-Bromobenzyl 4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide?
The molecular weight of 4-Bromobenzyl 4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide is 499.93 g/mol.
Where can I buy 4-Bromobenzyl 4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide?
You can request a quote for 4-Bromobenzyl 4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromobenzyl 4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromobenzyl 4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.