TL;DR: Dibutyl cyanophosphite (CAS 122278-71-1) is a chemical compound with molecular formula C9H18NO2P and molecular weight 203.10751 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dibutoxyphosphanylformonitrile
Also Known As: dibutyl cyanophosphite, dibutyl phosphorocyanidite, Dibutoxyphosphanylformonitrile
| Molecular Formula | C9H18NO2P |
| Molecular Weight | 203.10751 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 42.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 203.10751 Da |
| Heavy Atoms | 13 |
| Complexity | 145.0 |
| SMILES | CCCCOP(C#N)OCCCC |
| InChIKey | YMBIRIWJDAGKHV-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dibutyl cyanophosphite. With a topological polar surface area (TPSA) of 42.3 Ų, Dibutyl cyanophosphite exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibutyl cyanophosphite has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Dibutyl cyanophosphite is 122278-71-1.
The molecular formula of Dibutyl cyanophosphite is C9H18NO2P.
The molecular weight of Dibutyl cyanophosphite is 203.10751 g/mol.
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