![3-[(3-bromophenyl)methylsulfanyl]-5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazole structure](/static/products/848/848920-67-2.png)
3-[(3-bromophenyl)methylsulfanyl]-5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazole
TL;DR: 3-[(3-bromophenyl)methylsulfanyl]-5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazole (CAS 848920-67-2) is a chemical compound with molecular formula C21H14BrCl2N3S and molecular weight 488.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-bromophenyl)methylsulfanyl]-5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazole
Also Known As: 3-[(3-bromophenyl)methylsulfanyl]-5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazole, 3-((3-bromobenzyl)thio)-5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazole, 3-[(3-bromobenzyl)sulfanyl]-5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazole
| Molecular Formula | C21H14BrCl2N3S |
|---|---|
| Molecular Weight | 488.95 g/mol |
| LogP | 7.2959 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 488.9469 |
| Heavy Atoms | 28 |
| Complexity | 1112.8511 |
Chemical Identifiers
| CAS Number | 848920-67-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC4=CC(=CC=C4)Br)Cl |
Product Overview
3-[(3-bromophenyl)methylsulfanyl]-5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazole (CAS 848920-67-2), with molecular formula C21H14BrCl2N3S and molecular weight 488.95 g/mol. IUPAC: 3-[(3-bromophenyl)methylsulfanyl]-5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazole.
Chemical Property Profile of 3-[(3-bromophenyl)methylsulfanyl]-5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazole
Property Insights of 3-[(3-bromophenyl)methylsulfanyl]-5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazole
The XLogP value of 7.2959 indicates that 3-[(3-bromophenyl)methylsulfanyl]-5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 3-[(3-bromophenyl)methylsulfanyl]-5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3-bromophenyl)methylsulfanyl]-5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazole 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 3-[(3-bromophenyl)methylsulfanyl]-5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazole?
The CAS number of 3-[(3-bromophenyl)methylsulfanyl]-5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazole is 848920-67-2.
What is the molecular formula of 3-[(3-bromophenyl)methylsulfanyl]-5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazole?
The molecular formula of 3-[(3-bromophenyl)methylsulfanyl]-5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazole is C21H14BrCl2N3S.
What is the molecular weight of 3-[(3-bromophenyl)methylsulfanyl]-5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazole?
The molecular weight of 3-[(3-bromophenyl)methylsulfanyl]-5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazole is 488.95 g/mol.
Where can I buy 3-[(3-bromophenyl)methylsulfanyl]-5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazole?
You can request a quote for 3-[(3-bromophenyl)methylsulfanyl]-5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3-bromophenyl)methylsulfanyl]-5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-bromophenyl)methylsulfanyl]-5-(2-chlorophenyl)-4-(4-chlorophenyl)-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.