4-(5-((4-Chlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol
TL;DR: 4-(5-((4-Chlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol (CAS 444153-38-2) is a chemical compound with molecular formula C21H16ClN3OS and molecular weight 393.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]phenol
Also Known As: 4-(5-((4-Chlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol, BAS 01816366, 4-[5-(4-Chloro-benzylsulfanyl)-4-phenyl-4H-[1,2,4]triazol-3-yl]-phenol, 4-[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]phenol, 4-{5-[(4-chlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenol
| Molecular Formula | C21H16ClN3OS |
|---|---|
| Molecular Weight | 393.07 g/mol |
| LogP | 5.5856 |
| Topological Polar Surface Area | 50.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.07025 |
| Heavy Atoms | 27 |
| Complexity | 1031.482 |
Chemical Identifiers
| CAS Number | 444153-38-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)O |
Product Overview
4-(5-((4-Chlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol (CAS 444153-38-2), with molecular formula C21H16ClN3OS and molecular weight 393.07 g/mol. IUPAC: 4-[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]phenol.
Chemical Property Profile of 4-(5-((4-Chlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol
Property Insights of 4-(5-((4-Chlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol
The XLogP value of 5.5856 indicates that 4-(5-((4-Chlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.94 Ų, 4-(5-((4-Chlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(5-((4-Chlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol has 1 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-(5-((4-Chlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol?
The CAS number of 4-(5-((4-Chlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol is 444153-38-2.
What is the molecular formula of 4-(5-((4-Chlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol?
The molecular formula of 4-(5-((4-Chlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol is C21H16ClN3OS.
What is the molecular weight of 4-(5-((4-Chlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol?
The molecular weight of 4-(5-((4-Chlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol is 393.07 g/mol.
Where can I buy 4-(5-((4-Chlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol?
You can request a quote for 4-(5-((4-Chlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-((4-Chlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-((4-Chlorobenzyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.