TL;DR: 6-(4-bromophenyl)-3-(2,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS 111827-88-4) is a chemical compound with molecular formula C16H9BrCl2N4S and molecular weight 437.91083 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(4-bromophenyl)-3-(2,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Also Known As: 6-(4-bromophenyl)-3-(2,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
| Molecular Formula | C16H9BrCl2N4S |
| Molecular Weight | 437.91083 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 68.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 437.91083 Da |
| Heavy Atoms | 24 |
| Complexity | 489.0 |
| SMILES | C1C(=NN2C(=NN=C2S1)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Br |
| InChIKey | FFKNYXSUYUQCQE-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that 6-(4-bromophenyl)-3-(2,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(4-bromophenyl)-3-(2,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine. Following Lipinski's Rule of Five, 6-(4-bromophenyl)-3-(2,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 6-(4-bromophenyl)-3-(2,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is 111827-88-4.
The molecular formula of 6-(4-bromophenyl)-3-(2,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is C16H9BrCl2N4S.
The molecular weight of 6-(4-bromophenyl)-3-(2,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is 437.91083 g/mol.
You can request a quote for 6-(4-bromophenyl)-3-(2,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Yes, CoreyChem provides custom synthesis services for 6-(4-bromophenyl)-3-(2,4-dichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.
Request a quote for CAS 111827-88-4. Our professional technical team will respond with pricing and lead time.