![3-[(4-chlorophenoxy)methyl]-4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole structure](/static/products/861/861652-49-5.png)
3-[(4-chlorophenoxy)methyl]-4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole
TL;DR: 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole (CAS 861652-49-5) is a chemical compound with molecular formula C18H17ClFN3OS and molecular weight 377.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenoxy)methyl]-4-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazole
Also Known As: 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole, 3-((4-chlorophenoxy)methyl)-4-ethyl-5-((4-fluorobenzyl)thio)-4H-1,2,4-triazole, 3-(4-chlorophenoxymethyl)-4-ethyl-5-{[(4-fluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazole, 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazole, 4-chloro-1-({4-ethyl-5-[(4-fluorophenyl)methylthio](1,2,4-triazol-3-yl)}methox y)benzene
| Molecular Formula | C18H17ClFN3OS |
|---|---|
| Molecular Weight | 377.08 g/mol |
| LogP | 4.9618 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 377.07648 |
| Heavy Atoms | 25 |
| Complexity | 754.3425 |
Chemical Identifiers
| CAS Number | 861652-49-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)F)COC3=CC=C(C=C3)Cl |
Product Overview
3-[(4-chlorophenoxy)methyl]-4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole (CAS 861652-49-5), with molecular formula C18H17ClFN3OS and molecular weight 377.08 g/mol. IUPAC: 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazole.
Chemical Property Profile of 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole
Property Insights of 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole
The XLogP value of 4.9618 indicates that 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.94 Ų, 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 4 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 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole?
The CAS number of 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole is 861652-49-5.
What is the molecular formula of 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole?
The molecular formula of 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole is C18H17ClFN3OS.
What is the molecular weight of 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole?
The molecular weight of 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole is 377.08 g/mol.
Where can I buy 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole?
You can request a quote for 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-chlorophenoxy)methyl]-4-ethyl-5-[(4-fluorobenzyl)sulfanyl]-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.