![1-{[3-(2,4-dichlorophenyl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)]metho xy}-4-chlorobenzene structure](/static/products/877/877787-34-3.png)
1-{[3-(2,4-dichlorophenyl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)]metho xy}-4-chlorobenzene
TL;DR: 1-{[3-(2,4-dichlorophenyl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)]metho xy}-4-chlorobenzene (CAS 877787-34-3) is a chemical compound with molecular formula C16H9Cl3N4OS and molecular weight 409.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-chlorophenoxy)methyl]-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 1-{[3-(2,4-dichlorophenyl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)]metho xy}-4-chlorobenzene, 6-((4-chlorophenoxy)methyl)-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(4-chlorophenoxymethyl)-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-[(4-chlorophenoxy)methyl]-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-[(4-chlorophenoxy)methyl]-3-(2,4-dichlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C16H9Cl3N4OS |
|---|---|
| Molecular Weight | 409.96 g/mol |
| LogP | 5.392 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.95627 |
| Heavy Atoms | 25 |
| Complexity | 1045.4084 |
Chemical Identifiers
| CAS Number | 877787-34-3 |
|---|---|
| SMILES | C1=CC(=CC=C1OCC2=NN3C(=NN=C3S2)C4=C(C=C(C=C4)Cl)Cl)Cl |
Product Overview
1-{[3-(2,4-dichlorophenyl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)]metho xy}-4-chlorobenzene (CAS 877787-34-3), with molecular formula C16H9Cl3N4OS and molecular weight 409.96 g/mol. IUPAC: 6-[(4-chlorophenoxy)methyl]-3-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 1-{[3-(2,4-dichlorophenyl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)]metho xy}-4-chlorobenzene
Property Insights of 1-{[3-(2,4-dichlorophenyl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)]metho xy}-4-chlorobenzene
The XLogP value of 5.392 indicates that 1-{[3-(2,4-dichlorophenyl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)]metho xy}-4-chlorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.31 Ų, 1-{[3-(2,4-dichlorophenyl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)]metho xy}-4-chlorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{[3-(2,4-dichlorophenyl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)]metho xy}-4-chlorobenzene 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 1-{[3-(2,4-dichlorophenyl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)]metho xy}-4-chlorobenzene?
The CAS number of 1-{[3-(2,4-dichlorophenyl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)]metho xy}-4-chlorobenzene is 877787-34-3.
What is the molecular formula of 1-{[3-(2,4-dichlorophenyl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)]metho xy}-4-chlorobenzene?
The molecular formula of 1-{[3-(2,4-dichlorophenyl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)]metho xy}-4-chlorobenzene is C16H9Cl3N4OS.
What is the molecular weight of 1-{[3-(2,4-dichlorophenyl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)]metho xy}-4-chlorobenzene?
The molecular weight of 1-{[3-(2,4-dichlorophenyl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)]metho xy}-4-chlorobenzene is 409.96 g/mol.
Where can I buy 1-{[3-(2,4-dichlorophenyl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)]metho xy}-4-chlorobenzene?
You can request a quote for 1-{[3-(2,4-dichlorophenyl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)]metho xy}-4-chlorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{[3-(2,4-dichlorophenyl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)]metho xy}-4-chlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-{[3-(2,4-dichlorophenyl)(1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)]metho xy}-4-chlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.