![5-[4-(benzyloxy)phenyl]-4-phenyl-4H-1,2,4-triazole-3-thiol structure](/static/products/1893/189372-24-5.webp)
5-[4-(benzyloxy)phenyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
TL;DR: 5-[4-(benzyloxy)phenyl]-4-phenyl-4H-1,2,4-triazole-3-thiol (CAS 189372-24-5) is a chemical compound with molecular formula C21H17N3OS and molecular weight 359.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenyl-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 5-[4-(benzyloxy)phenyl]-4-phenyl-4H-1,2,4-triazole-3-thiol, 4-phenyl-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole-5-thione, 4-PHENYL-5-(4-(BENZYLOXY)PHENYL)-1,2,4-TRIAZOLE-3-THIOL, 5-(4-(Benzyloxy)phenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol, 3-(4-benzyloxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C21H17N3OS |
|---|---|
| Molecular Weight | 359.11 g/mol |
| LogP | 5.17589 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.10922 |
| Heavy Atoms | 26 |
| Complexity | 1038.0786 |
Chemical Identifiers
| CAS Number | 189372-24-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NNC(=S)N3C4=CC=CC=C4 |
Product Overview
5-[4-(benzyloxy)phenyl]-4-phenyl-4H-1,2,4-triazole-3-thiol (CAS 189372-24-5), with molecular formula C21H17N3OS and molecular weight 359.11 g/mol. IUPAC: 4-phenyl-3-(4-phenylmethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-[4-(benzyloxy)phenyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
Property Insights of 5-[4-(benzyloxy)phenyl]-4-phenyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.17589 indicates that 5-[4-(benzyloxy)phenyl]-4-phenyl-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, 5-[4-(benzyloxy)phenyl]-4-phenyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[4-(benzyloxy)phenyl]-4-phenyl-4H-1,2,4-triazole-3-thiol has 1 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 5-[4-(benzyloxy)phenyl]-4-phenyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-[4-(benzyloxy)phenyl]-4-phenyl-4H-1,2,4-triazole-3-thiol is 189372-24-5.
What is the molecular formula of 5-[4-(benzyloxy)phenyl]-4-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-[4-(benzyloxy)phenyl]-4-phenyl-4H-1,2,4-triazole-3-thiol is C21H17N3OS.
What is the molecular weight of 5-[4-(benzyloxy)phenyl]-4-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-[4-(benzyloxy)phenyl]-4-phenyl-4H-1,2,4-triazole-3-thiol is 359.11 g/mol.
Where can I buy 5-[4-(benzyloxy)phenyl]-4-phenyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-[4-(benzyloxy)phenyl]-4-phenyl-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 5-[4-(benzyloxy)phenyl]-4-phenyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-[4-(benzyloxy)phenyl]-4-phenyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.