3-((2-Chloro-6-fluorobenzyl)thio)-5-(3,4-dimethoxybenzyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole
TL;DR: 3-((2-Chloro-6-fluorobenzyl)thio)-5-(3,4-dimethoxybenzyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole (CAS 883031-01-4) is a chemical compound with molecular formula C24H20ClF2N3O2S and molecular weight 487.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-1,2,4-triazole
Also Known As: 3-((2-Chloro-6-fluorobenzyl)thio)-5-(3,4-dimethoxybenzyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole, 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-1,2,4-triazole
| Molecular Formula | C24H20ClF2N3O2S |
|---|---|
| Molecular Weight | 487.09 g/mol |
| LogP | 6.0992 |
| Topological Polar Surface Area | 49.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 487.0933 |
| Heavy Atoms | 33 |
| Complexity | 1245.0566 |
Chemical Identifiers
| CAS Number | 883031-01-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2=NN=C(N2C3=CC=C(C=C3)F)SCC4=C(C=CC=C4Cl)F)OC |
Product Overview
3-((2-Chloro-6-fluorobenzyl)thio)-5-(3,4-dimethoxybenzyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole (CAS 883031-01-4), with molecular formula C24H20ClF2N3O2S and molecular weight 487.09 g/mol. IUPAC: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluorophenyl)-1,2,4-triazole.
Chemical Property Profile of 3-((2-Chloro-6-fluorobenzyl)thio)-5-(3,4-dimethoxybenzyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole
Property Insights of 3-((2-Chloro-6-fluorobenzyl)thio)-5-(3,4-dimethoxybenzyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole
The XLogP value of 6.0992 indicates that 3-((2-Chloro-6-fluorobenzyl)thio)-5-(3,4-dimethoxybenzyl)-4-(4-fluorophenyl)-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 49.17 Ų, 3-((2-Chloro-6-fluorobenzyl)thio)-5-(3,4-dimethoxybenzyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((2-Chloro-6-fluorobenzyl)thio)-5-(3,4-dimethoxybenzyl)-4-(4-fluorophenyl)-4H-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-((2-Chloro-6-fluorobenzyl)thio)-5-(3,4-dimethoxybenzyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole?
The CAS number of 3-((2-Chloro-6-fluorobenzyl)thio)-5-(3,4-dimethoxybenzyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole is 883031-01-4.
What is the molecular formula of 3-((2-Chloro-6-fluorobenzyl)thio)-5-(3,4-dimethoxybenzyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole?
The molecular formula of 3-((2-Chloro-6-fluorobenzyl)thio)-5-(3,4-dimethoxybenzyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole is C24H20ClF2N3O2S.
What is the molecular weight of 3-((2-Chloro-6-fluorobenzyl)thio)-5-(3,4-dimethoxybenzyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole?
The molecular weight of 3-((2-Chloro-6-fluorobenzyl)thio)-5-(3,4-dimethoxybenzyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole is 487.09 g/mol.
Where can I buy 3-((2-Chloro-6-fluorobenzyl)thio)-5-(3,4-dimethoxybenzyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole?
You can request a quote for 3-((2-Chloro-6-fluorobenzyl)thio)-5-(3,4-dimethoxybenzyl)-4-(4-fluorophenyl)-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-((2-Chloro-6-fluorobenzyl)thio)-5-(3,4-dimethoxybenzyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-Chloro-6-fluorobenzyl)thio)-5-(3,4-dimethoxybenzyl)-4-(4-fluorophenyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.