4-(4-BR-Phenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL 2,6-dichlorobenzyl sulfide
TL;DR: 4-(4-BR-Phenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL 2,6-dichlorobenzyl sulfide (CAS 477329-50-3) is a chemical compound with molecular formula C20H13BrCl2N4S and molecular weight 489.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(4-bromophenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
Also Known As: 3-[4-(4-bromophenyl)-5-{[(2,6-dichlorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]pyridine, 3-(4-(4-Bromophenyl)-5-((2,6-dichlorobenzyl)thio)-4H-1,2,4-triazol-3-yl)pyridine, 3-[4-(4-bromophenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine, 4-(4-BR-PHENYL)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL 2,6-DICHLOROBENZYL SULFIDE, 3-[(2,6-dichlorophenyl)methylthio]-4-(4-bromophenyl)-5-(3-pyridyl)-1,2,4-triaz ole
| Molecular Formula | C20H13BrCl2N4S |
|---|---|
| Molecular Weight | 489.94 g/mol |
| LogP | 6.6909 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 489.94214 |
| Heavy Atoms | 28 |
| Complexity | 1080.9061 |
Chemical Identifiers
| CAS Number | 477329-50-3 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4)Cl |
Product Overview
4-(4-BR-Phenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL 2,6-dichlorobenzyl sulfide (CAS 477329-50-3), with molecular formula C20H13BrCl2N4S and molecular weight 489.94 g/mol. IUPAC: 3-[4-(4-bromophenyl)-5-[(2,6-dichlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine.
Chemical Property Profile of 4-(4-BR-Phenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL 2,6-dichlorobenzyl sulfide
Property Insights of 4-(4-BR-Phenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL 2,6-dichlorobenzyl sulfide
The XLogP value of 6.6909 indicates that 4-(4-BR-Phenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL 2,6-dichlorobenzyl 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-(4-BR-Phenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL 2,6-dichlorobenzyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-BR-Phenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL 2,6-dichlorobenzyl 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-(4-BR-Phenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL 2,6-dichlorobenzyl sulfide?
The CAS number of 4-(4-BR-Phenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL 2,6-dichlorobenzyl sulfide is 477329-50-3.
What is the molecular formula of 4-(4-BR-Phenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL 2,6-dichlorobenzyl sulfide?
The molecular formula of 4-(4-BR-Phenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL 2,6-dichlorobenzyl sulfide is C20H13BrCl2N4S.
What is the molecular weight of 4-(4-BR-Phenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL 2,6-dichlorobenzyl sulfide?
The molecular weight of 4-(4-BR-Phenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL 2,6-dichlorobenzyl sulfide is 489.94 g/mol.
Where can I buy 4-(4-BR-Phenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL 2,6-dichlorobenzyl sulfide?
You can request a quote for 4-(4-BR-Phenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL 2,6-dichlorobenzyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-BR-Phenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL 2,6-dichlorobenzyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-BR-Phenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL 2,6-dichlorobenzyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.