TL;DR: 1H-Tetrazole, 5,5'-methylenebis[1-(2-methylphenyl)- (CAS 105678-56-6) is a chemical compound with molecular formula C17H16N8 and molecular weight 332.14978 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-methylphenyl)-5-[[1-(2-methylphenyl)tetrazol-5-yl]methyl]tetrazole
Also Known As: 1H-Tetrazole, 5,5'-methylenebis[1-(2-methylphenyl)-, BAS 00160351, 5,5'-Methylenebis[1-(2-methylphenyl)-1H-tetrazole], 1-(2-methylphenyl)-5-[[1-(2-methylphenyl)tetrazol-5-yl]methyl]tetrazole, (S)-2-((R)-3,3,3-Trifluoro-2-methoxy-2-phenyl-propionylamino)-propionic acid
| Molecular Formula | C17H16N8 |
| Molecular Weight | 332.14978 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 87.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.14978 Da |
| Heavy Atoms | 25 |
| Complexity | 397.0 |
| SMILES | CC1=CC=CC=C1N2C(=NN=N2)CC3=NN=NN3C4=CC=CC=C4C |
| InChIKey | KIPDAJMOTCBPIY-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 1H-Tetrazole, 5,5'-methylenebis[1-(2-methylphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Tetrazole, 5,5'-methylenebis[1-(2-methylphenyl)-. Following Lipinski's Rule of Five, 1H-Tetrazole, 5,5'-methylenebis[1-(2-methylphenyl)- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1H-Tetrazole, 5,5'-methylenebis[1-(2-methylphenyl)- is 105678-56-6.
The molecular formula of 1H-Tetrazole, 5,5'-methylenebis[1-(2-methylphenyl)- is C17H16N8.
The molecular weight of 1H-Tetrazole, 5,5'-methylenebis[1-(2-methylphenyl)- is 332.14978 g/mol.
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