4-Benzyl-5-((naphthalen-1-yloxy)methyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-Benzyl-5-((naphthalen-1-yloxy)methyl)-4H-1,2,4-triazole-3-thiol (CAS 573943-07-4) is a chemical compound with molecular formula C20H17N3OS and molecular weight 347.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-3-(naphthalen-1-yloxymethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-Benzyl-5-((naphthalen-1-yloxy)methyl)-4H-1,2,4-triazole-3-thiol, 4-Benzyl-5-(naphthalen-1-yloxymethyl)-4H-[1,2,4]triazole-3-thiol, 4-benzyl-3-(naphthalen-1-yloxymethyl)-1H-1,2,4-triazole-5-thione, 4-benzyl-5-[(naphthalen-1-yloxy)methyl]-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C20H17N3OS |
|---|---|
| Molecular Weight | 347.11 g/mol |
| LogP | 4.72119 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.10922 |
| Heavy Atoms | 25 |
| Complexity | 1047.93 |
Chemical Identifiers
| CAS Number | 573943-07-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NNC2=S)COC3=CC=CC4=CC=CC=C43 |
Product Overview
4-Benzyl-5-((naphthalen-1-yloxy)methyl)-4H-1,2,4-triazole-3-thiol (CAS 573943-07-4), with molecular formula C20H17N3OS and molecular weight 347.11 g/mol. IUPAC: 4-benzyl-3-(naphthalen-1-yloxymethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-Benzyl-5-((naphthalen-1-yloxy)methyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-Benzyl-5-((naphthalen-1-yloxy)methyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.72119 indicates that 4-Benzyl-5-((naphthalen-1-yloxy)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-Benzyl-5-((naphthalen-1-yloxy)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-Benzyl-5-((naphthalen-1-yloxy)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-Benzyl-5-((naphthalen-1-yloxy)methyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-Benzyl-5-((naphthalen-1-yloxy)methyl)-4H-1,2,4-triazole-3-thiol is 573943-07-4.
What is the molecular formula of 4-Benzyl-5-((naphthalen-1-yloxy)methyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-Benzyl-5-((naphthalen-1-yloxy)methyl)-4H-1,2,4-triazole-3-thiol is C20H17N3OS.
What is the molecular weight of 4-Benzyl-5-((naphthalen-1-yloxy)methyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-Benzyl-5-((naphthalen-1-yloxy)methyl)-4H-1,2,4-triazole-3-thiol is 347.11 g/mol.
Where can I buy 4-Benzyl-5-((naphthalen-1-yloxy)methyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-Benzyl-5-((naphthalen-1-yloxy)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-Benzyl-5-((naphthalen-1-yloxy)methyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyl-5-((naphthalen-1-yloxy)methyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.