4-(4-bromophenyl)-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(4-bromophenyl)-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazole-3-thiol (CAS 537016-66-3) is a chemical compound with molecular formula C15H11BrClN3OS and molecular weight 394.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-3-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: F1219-1513, 4-(4-bromophenyl)-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazole-3-thiol, 4-(4-bromophenyl)-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazole-3-thiol, 4-(4-bromophenyl)-3-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazole-5-thione, 4-(4-bromophenyl)-5-[(4-chlorophenoxy)methyl]-1,2,4-triazole-3-thiol
| Molecular Formula | C15H11BrClN3OS |
|---|---|
| Molecular Weight | 394.95 g/mol |
| LogP | 4.92479 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.94946 |
| Heavy Atoms | 22 |
| Complexity | 827.24396 |
Chemical Identifiers
| CAS Number | 537016-66-3 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=NNC2=S)COC3=CC=C(C=C3)Cl)Br |
Product Overview
4-(4-bromophenyl)-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazole-3-thiol (CAS 537016-66-3), with molecular formula C15H11BrClN3OS and molecular weight 394.95 g/mol. IUPAC: 4-(4-bromophenyl)-3-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(4-bromophenyl)-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(4-bromophenyl)-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.92479 indicates that 4-(4-bromophenyl)-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.84 Ų, 4-(4-bromophenyl)-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-bromophenyl)-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-bromophenyl)-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(4-bromophenyl)-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazole-3-thiol is 537016-66-3.
What is the molecular formula of 4-(4-bromophenyl)-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(4-bromophenyl)-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazole-3-thiol is C15H11BrClN3OS.
What is the molecular weight of 4-(4-bromophenyl)-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(4-bromophenyl)-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazole-3-thiol is 394.95 g/mol.
Where can I buy 4-(4-bromophenyl)-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(4-bromophenyl)-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-bromophenyl)-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-bromophenyl)-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.