![3-[(4-chlorophenoxy)methyl]-5-[(2-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole structure](/static/products/861/861111-67-3.png)
3-[(4-chlorophenoxy)methyl]-5-[(2-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole
TL;DR: 3-[(4-chlorophenoxy)methyl]-5-[(2-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole (CAS 861111-67-3) is a chemical compound with molecular formula C23H19ClFN3O2S and molecular weight 455.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenoxy)methyl]-5-[(2-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole
Also Known As: 3-[(4-chlorophenoxy)methyl]-5-[(2-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole, 3-((4-chlorophenoxy)methyl)-5-((2-fluorobenzyl)thio)-4-(4-methoxyphenyl)-4H-1,2,4-triazole, 3-(4-chlorophenoxymethyl)-5-{[(2-fluorophenyl)methyl]sulfanyl}-4-(4-methoxyphenyl)-4H-1,2,4-triazole, 3-[(4-chlorophenoxy)methyl]-5-[(2-fluorobenzyl)sulfanyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazole, 4-chloro-1-({5-[(2-fluorophenyl)methylthio]-4-(4-methoxyphenyl)(1,2,4-triazol- 3-yl)}methoxy)benzene
| Molecular Formula | C23H19ClFN3O2S |
|---|---|
| Molecular Weight | 455.09 g/mol |
| LogP | 5.9397 |
| Topological Polar Surface Area | 49.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.08707 |
| Heavy Atoms | 31 |
| Complexity | 1150.4626 |
Chemical Identifiers
| CAS Number | 861111-67-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3F)COC4=CC=C(C=C4)Cl |
Product Overview
3-[(4-chlorophenoxy)methyl]-5-[(2-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole (CAS 861111-67-3), with molecular formula C23H19ClFN3O2S and molecular weight 455.09 g/mol. IUPAC: 3-[(4-chlorophenoxy)methyl]-5-[(2-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole.
Chemical Property Profile of 3-[(4-chlorophenoxy)methyl]-5-[(2-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole
Property Insights of 3-[(4-chlorophenoxy)methyl]-5-[(2-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole
The XLogP value of 5.9397 indicates that 3-[(4-chlorophenoxy)methyl]-5-[(2-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-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 49.17 Ų, 3-[(4-chlorophenoxy)methyl]-5-[(2-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-chlorophenoxy)methyl]-5-[(2-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(4-chlorophenoxy)methyl]-5-[(2-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole?
The CAS number of 3-[(4-chlorophenoxy)methyl]-5-[(2-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole is 861111-67-3.
What is the molecular formula of 3-[(4-chlorophenoxy)methyl]-5-[(2-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole?
The molecular formula of 3-[(4-chlorophenoxy)methyl]-5-[(2-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole is C23H19ClFN3O2S.
What is the molecular weight of 3-[(4-chlorophenoxy)methyl]-5-[(2-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole?
The molecular weight of 3-[(4-chlorophenoxy)methyl]-5-[(2-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole is 455.09 g/mol.
Where can I buy 3-[(4-chlorophenoxy)methyl]-5-[(2-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole?
You can request a quote for 3-[(4-chlorophenoxy)methyl]-5-[(2-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-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]-5-[(2-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-chlorophenoxy)methyl]-5-[(2-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.