TL;DR: 2,3-Bis(3,5-dimethylpyrazol-1-yl)benzene-1,4-diol (CAS 123834-57-1) is a chemical compound with molecular formula C16H18N4O2 and molecular weight 298.14297 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-bis(3,5-dimethylpyrazol-1-yl)benzene-1,4-diol
Also Known As: NCI60_015801, 2,3-bis(3,5-dimethylpyrazol-1-yl)benzene-1,4-diol, 2,3-Bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,4-benzenediol, 2,3-bis(3,5-dimethyl-1H-pyrazol-1-yl)benzene-1,4-diol, 1,4-Benzenediol, 2,3-bis(3,5-dimethyl-1H-pyrazol-1-yl)-
| Molecular Formula | C16H18N4O2 |
| Molecular Weight | 298.14297 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 76.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.14297 Da |
| Heavy Atoms | 22 |
| Complexity | 360.0 |
| SMILES | CC1=CC(=NN1C2=C(C=CC(=C2N3C(=CC(=N3)C)C)O)O)C |
| InChIKey | GXEOMTLNPFCXRA-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Bis(3,5-dimethylpyrazol-1-yl)benzene-1,4-diol. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Bis(3,5-dimethylpyrazol-1-yl)benzene-1,4-diol. Following Lipinski's Rule of Five, 2,3-Bis(3,5-dimethylpyrazol-1-yl)benzene-1,4-diol has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,3-Bis(3,5-dimethylpyrazol-1-yl)benzene-1,4-diol is 123834-57-1.
The molecular formula of 2,3-Bis(3,5-dimethylpyrazol-1-yl)benzene-1,4-diol is C16H18N4O2.
The molecular weight of 2,3-Bis(3,5-dimethylpyrazol-1-yl)benzene-1,4-diol is 298.14297 g/mol.
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