TL;DR: Phosphonium, ((4-methylphenyl)methyl)triphenyl-, chloride (1:1) (CAS 1530-37-6) is a chemical compound with molecular formula C26H24ClP and molecular weight 402.1304 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methylphenyl)methyl-triphenylphosphanium chloride
Also Known As: (4-Methylbenzyl)triphenylphosphonium chloride, 4-METHYLBENZYL TRIPHENYLPHOSPHONIUM CHLORIDE, Cid 150925, 4-Methylbenzyltriphenylphosphonium chloride, p-Methylbenzyltriphenylphosphonium chloride
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C26H24ClP |
| Molecular Weight | 402.1304 g/mol |
| XLogP | 2.49312 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.1304 Da |
| Heavy Atoms | 28 |
| Complexity | 372.0 |
| SMILES | CC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-] |
| InChIKey | AZHSDLYDKBEFLL-UHFFFAOYSA-M |
The XLogP value of 2.49312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphonium, ((4-methylphenyl)methyl)triphenyl-, chloride (1:1). With a topological polar surface area (TPSA) of 0.0 Ų, Phosphonium, ((4-methylphenyl)methyl)triphenyl-, chloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphonium, ((4-methylphenyl)methyl)triphenyl-, chloride (1:1) has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Phosphonium, ((4-methylphenyl)methyl)triphenyl-, chloride (1:1) is 1530-37-6.
The molecular formula of Phosphonium, ((4-methylphenyl)methyl)triphenyl-, chloride (1:1) is C26H24ClP.
The molecular weight of Phosphonium, ((4-methylphenyl)methyl)triphenyl-, chloride (1:1) is 402.1304 g/mol.
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