TL;DR: 6-Biphenyl-4-yl-3-(5-phenyl-2H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (CAS 1035084-36-6) is a chemical compound with molecular formula C25H18N6S and molecular weight 434.13138 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(4-phenylphenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Also Known As: 6-Biphenyl-4-yl-3-(5-phenyl-2H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, 6-(4-phenylphenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, 6-([1,1'-biphenyl]-4-yl)-3-(3-phenyl-1H-pyrazol-5-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine, 6-(biphenyl-4-yl)-3-(5-phenyl-1H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
| Molecular Formula | C25H18N6S |
| Molecular Weight | 434.13138 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 97.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 434.13138 Da |
| Heavy Atoms | 32 |
| Complexity | 653.0 |
| SMILES | C1C(=NN2C(=NN=C2S1)C3=CC(=NN3)C4=CC=CC=C4)C5=CC=C(C=C5)C6=CC=CC=C6 |
| InChIKey | TZFAMUNSQMIJJV-UHFFFAOYSA-N |
The XLogP value of 5.2 indicates that 6-Biphenyl-4-yl-3-(5-phenyl-2H-pyrazol-3-yl)-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 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Biphenyl-4-yl-3-(5-phenyl-2H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine. Following Lipinski's Rule of Five, 6-Biphenyl-4-yl-3-(5-phenyl-2H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 6-Biphenyl-4-yl-3-(5-phenyl-2H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is 1035084-36-6.
The molecular formula of 6-Biphenyl-4-yl-3-(5-phenyl-2H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is C25H18N6S.
The molecular weight of 6-Biphenyl-4-yl-3-(5-phenyl-2H-pyrazol-3-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine is 434.13138 g/mol.
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