![3-(benzylsulfanyl)-5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole structure](/static/products/1295/129544-88-3.webp)
3-(benzylsulfanyl)-5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole
TL;DR: 3-(benzylsulfanyl)-5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole (CAS 129544-88-3) is a chemical compound with molecular formula C22H18ClN3OS and molecular weight 407.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazole
Also Known As: BAS 02053644, 3-(benzylsulfanyl)-5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole, 3-benzylsulfanyl-5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazole, 3-(benzylthio)-5-((4'-chlorophenoxy)methyl)-4-phenyl-4h-1,2,4-triazole, 3-Benzylsulfanyl-5-(4-chloro-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazole
| Molecular Formula | C22H18ClN3OS |
|---|---|
| Molecular Weight | 407.09 g/mol |
| LogP | 5.792 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 407.0859 |
| Heavy Atoms | 28 |
| Complexity | 1020.85834 |
Chemical Identifiers
| CAS Number | 129544-88-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)Cl |
Product Overview
3-(benzylsulfanyl)-5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole (CAS 129544-88-3), with molecular formula C22H18ClN3OS and molecular weight 407.09 g/mol. IUPAC: 3-benzylsulfanyl-5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazole.
Chemical Property Profile of 3-(benzylsulfanyl)-5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole
Property Insights of 3-(benzylsulfanyl)-5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole
The XLogP value of 5.792 indicates that 3-(benzylsulfanyl)-5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-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 39.94 Ų, 3-(benzylsulfanyl)-5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(benzylsulfanyl)-5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole 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-(benzylsulfanyl)-5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole?
The CAS number of 3-(benzylsulfanyl)-5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole is 129544-88-3.
What is the molecular formula of 3-(benzylsulfanyl)-5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole?
The molecular formula of 3-(benzylsulfanyl)-5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole is C22H18ClN3OS.
What is the molecular weight of 3-(benzylsulfanyl)-5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole?
The molecular weight of 3-(benzylsulfanyl)-5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole is 407.09 g/mol.
Where can I buy 3-(benzylsulfanyl)-5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole?
You can request a quote for 3-(benzylsulfanyl)-5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-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-(benzylsulfanyl)-5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(benzylsulfanyl)-5-[(4-chlorophenoxy)methyl]-4-phenyl-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.