4-Bromobenzyl 5-(4-CL-phenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL sulfide
TL;DR: 4-Bromobenzyl 5-(4-CL-phenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL sulfide (CAS 477333-06-5) is a chemical compound with molecular formula C22H17BrClN3S and molecular weight 469.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromophenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazole
Also Known As: 3-((4-Bromobenzyl)thio)-5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazole, 3-[(4-bromophenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazole, 4-BROMOBENZYL 5-(4-CL-PHENYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL SULFIDE, 3-[(4-bromobenzyl)sulfanyl]-5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazole, 3-[(4-bromophenyl)methylthio]-5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-tria zole
| Molecular Formula | C22H17BrClN3S |
|---|---|
| Molecular Weight | 469.00 g/mol |
| LogP | 6.95092 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 469.0015 |
| Heavy Atoms | 28 |
| Complexity | 1074.4823 |
Chemical Identifiers
| CAS Number | 477333-06-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Br)C4=CC=C(C=C4)Cl |
Product Overview
4-Bromobenzyl 5-(4-CL-phenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL sulfide (CAS 477333-06-5), with molecular formula C22H17BrClN3S and molecular weight 469.00 g/mol. IUPAC: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazole.
Chemical Property Profile of 4-Bromobenzyl 5-(4-CL-phenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL sulfide
Property Insights of 4-Bromobenzyl 5-(4-CL-phenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL sulfide
The XLogP value of 6.95092 indicates that 4-Bromobenzyl 5-(4-CL-phenyl)-4-(4-methylphenyl)-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 30.71 Ų, 4-Bromobenzyl 5-(4-CL-phenyl)-4-(4-methylphenyl)-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 5-(4-CL-phenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL sulfide has 0 hydrogen bond donor(s) and 3 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 5-(4-CL-phenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL sulfide?
The CAS number of 4-Bromobenzyl 5-(4-CL-phenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL sulfide is 477333-06-5.
What is the molecular formula of 4-Bromobenzyl 5-(4-CL-phenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL sulfide?
The molecular formula of 4-Bromobenzyl 5-(4-CL-phenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL sulfide is C22H17BrClN3S.
What is the molecular weight of 4-Bromobenzyl 5-(4-CL-phenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL sulfide?
The molecular weight of 4-Bromobenzyl 5-(4-CL-phenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL sulfide is 469.00 g/mol.
Where can I buy 4-Bromobenzyl 5-(4-CL-phenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL sulfide?
You can request a quote for 4-Bromobenzyl 5-(4-CL-phenyl)-4-(4-methylphenyl)-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 5-(4-CL-phenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL sulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromobenzyl 5-(4-CL-phenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.