![4-benzyl-5-[(4-fluorophenoxy)methyl]-2H-1,2,4-triazole-3-thione structure](/static/products/451/451502-06-0.png)
4-benzyl-5-[(4-fluorophenoxy)methyl]-2H-1,2,4-triazole-3-thione
TL;DR: 4-benzyl-5-[(4-fluorophenoxy)methyl]-2H-1,2,4-triazole-3-thione (CAS 451502-06-0) is a chemical compound with molecular formula C16H14FN3OS and molecular weight 315.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-3-[(4-fluorophenoxy)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-benzyl-5-[(4-fluorophenoxy)methyl]-2H-1,2,4-triazole-3-thione, 5-[(4-Fluorophenoxy)methyl]-2,4-dihydro-4-(phenylmethyl)-3H-1,2,4-triazole-3-thione, 4-Benzyl-5-[(4-fluorophenoxy)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C16H14FN3OS |
|---|---|
| Molecular Weight | 315.08 g/mol |
| LogP | 3.70709 |
| Topological Polar Surface Area | 42.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.08417 |
| Heavy Atoms | 22 |
| Complexity | 796.2632 |
Chemical Identifiers
| CAS Number | 451502-06-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NNC2=S)COC3=CC=C(C=C3)F |
Product Overview
4-benzyl-5-[(4-fluorophenoxy)methyl]-2H-1,2,4-triazole-3-thione (CAS 451502-06-0), with molecular formula C16H14FN3OS and molecular weight 315.08 g/mol. IUPAC: 4-benzyl-3-[(4-fluorophenoxy)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-benzyl-5-[(4-fluorophenoxy)methyl]-2H-1,2,4-triazole-3-thione
Property Insights of 4-benzyl-5-[(4-fluorophenoxy)methyl]-2H-1,2,4-triazole-3-thione
The XLogP value of 3.70709 indicates that 4-benzyl-5-[(4-fluorophenoxy)methyl]-2H-1,2,4-triazole-3-thione 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-[(4-fluorophenoxy)methyl]-2H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzyl-5-[(4-fluorophenoxy)methyl]-2H-1,2,4-triazole-3-thione 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-[(4-fluorophenoxy)methyl]-2H-1,2,4-triazole-3-thione?
The CAS number of 4-benzyl-5-[(4-fluorophenoxy)methyl]-2H-1,2,4-triazole-3-thione is 451502-06-0.
What is the molecular formula of 4-benzyl-5-[(4-fluorophenoxy)methyl]-2H-1,2,4-triazole-3-thione?
The molecular formula of 4-benzyl-5-[(4-fluorophenoxy)methyl]-2H-1,2,4-triazole-3-thione is C16H14FN3OS.
What is the molecular weight of 4-benzyl-5-[(4-fluorophenoxy)methyl]-2H-1,2,4-triazole-3-thione?
The molecular weight of 4-benzyl-5-[(4-fluorophenoxy)methyl]-2H-1,2,4-triazole-3-thione is 315.08 g/mol.
Where can I buy 4-benzyl-5-[(4-fluorophenoxy)methyl]-2H-1,2,4-triazole-3-thione?
You can request a quote for 4-benzyl-5-[(4-fluorophenoxy)methyl]-2H-1,2,4-triazole-3-thione 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-[(4-fluorophenoxy)methyl]-2H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-5-[(4-fluorophenoxy)methyl]-2H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.