TL;DR: 2-Propanol, 1-((4-fluorophenyl)amino)-3-((1-phenyl-1H-tetrazol-5-yl)thio)- (CAS 133506-54-4) is a chemical compound with molecular formula C16H16FN5OS and molecular weight 345.10596 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-fluoroanilino)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol
Also Known As: 1-((4-Fluorophenyl)amino)-3-((1-phenyl-1H-tetrazol-5-yl)thio)-2-propanol, 2-Propanol, 1-((4-fluorophenyl)amino)-3-((1-phenyl-1H-tetrazol-5-yl)thio)-, 1-(4-fluoroanilino)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol, 1-(4-fluoroanilino)-3-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]-2-propanol, 1-(4-Fluoroanilino)-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-2-ol
| Molecular Formula | C16H16FN5OS |
| Molecular Weight | 345.10596 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 345.10596 Da |
| Heavy Atoms | 24 |
| Complexity | 366.0 |
| SMILES | C1=CC=C(C=C1)N2C(=NN=N2)SCC(CNC3=CC=C(C=C3)F)O |
| InChIKey | RUMDPIABWWMYSM-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 2-Propanol, 1-((4-fluorophenyl)amino)-3-((1-phenyl-1H-tetrazol-5-yl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propanol, 1-((4-fluorophenyl)amino)-3-((1-phenyl-1H-tetrazol-5-yl)thio)-. Following Lipinski's Rule of Five, 2-Propanol, 1-((4-fluorophenyl)amino)-3-((1-phenyl-1H-tetrazol-5-yl)thio)- has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Propanol, 1-((4-fluorophenyl)amino)-3-((1-phenyl-1H-tetrazol-5-yl)thio)- is 133506-54-4.
The molecular formula of 2-Propanol, 1-((4-fluorophenyl)amino)-3-((1-phenyl-1H-tetrazol-5-yl)thio)- is C16H16FN5OS.
The molecular weight of 2-Propanol, 1-((4-fluorophenyl)amino)-3-((1-phenyl-1H-tetrazol-5-yl)thio)- is 345.10596 g/mol.
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