TL;DR: Phosphine oxide, dibutylhexyl- (CAS 74038-17-8) is a chemical compound with molecular formula C14H31OP and molecular weight 246.21126 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-dibutylphosphorylhexane
Also Known As: Phosphine oxide, dibutylhexyl-, 1-dibutylphosphorylhexane, Dibutylhexylphosphine oxide, Di-N-butyl-N-hexylphosphine oxide, dibutyl(hexyl)phosphane oxide
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C14H31OP |
| Molecular Weight | 246.21126 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 11 |
| Exact Mass | 246.21126 Da |
| Heavy Atoms | 16 |
| Complexity | 177.0 |
| SMILES | CCCCCCP(=O)(CCCC)CCCC |
| InChIKey | IOEIIVUUHFHIBG-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that Phosphine oxide, dibutylhexyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Phosphine oxide, dibutylhexyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphine oxide, dibutylhexyl- 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 Phosphine oxide, dibutylhexyl- is 74038-17-8.
The molecular formula of Phosphine oxide, dibutylhexyl- is C14H31OP.
The molecular weight of Phosphine oxide, dibutylhexyl- is 246.21126 g/mol.
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