TL;DR: 2-Propanol, 1-((4-methylphenyl)amino)-3-((1-phenyl-1H-tetrazol-5-yl)thio)- (CAS 133506-51-1) is a chemical compound with molecular formula C17H19N5OS and molecular weight 341.13104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methylanilino)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol
Also Known As: 1-((4-Methylphenyl)amino)-3-((1-phenyl-1H-tetrazol-5-yl)thio)-2-propanol, 2-Propanol, 1-((4-methylphenyl)amino)-3-((1-phenyl-1H-tetrazol-5-yl)thio)-, 1-(4-methylanilino)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-2-ol, 1-(4-Methylanilino)-3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-2-ol, 1-((4-METHYLPHENYL)AMINO)-3-((1-PHENYL-1H-TETRAZOL-5-YL)THIO)2-PROPANOL-
| Molecular Formula | C17H19N5OS |
| Molecular Weight | 341.13104 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 341.13104 Da |
| Heavy Atoms | 24 |
| Complexity | 361.0 |
| SMILES | CC1=CC=C(C=C1)NCC(CSC2=NN=NN2C3=CC=CC=C3)O |
| InChIKey | AGAZEHHHGBATRB-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 2-Propanol, 1-((4-methylphenyl)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-methylphenyl)amino)-3-((1-phenyl-1H-tetrazol-5-yl)thio)-. Following Lipinski's Rule of Five, 2-Propanol, 1-((4-methylphenyl)amino)-3-((1-phenyl-1H-tetrazol-5-yl)thio)- has 2 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 2-Propanol, 1-((4-methylphenyl)amino)-3-((1-phenyl-1H-tetrazol-5-yl)thio)- is 133506-51-1.
The molecular formula of 2-Propanol, 1-((4-methylphenyl)amino)-3-((1-phenyl-1H-tetrazol-5-yl)thio)- is C17H19N5OS.
The molecular weight of 2-Propanol, 1-((4-methylphenyl)amino)-3-((1-phenyl-1H-tetrazol-5-yl)thio)- is 341.13104 g/mol.
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