TL;DR: 1,3,2-Diazaphosphol-4-ene, 2-ethyl-2-oxo-1,3-dibutyl-4,5-dimethyl- (CAS 104728-29-2) is a chemical compound with molecular formula C14H29N2OP and molecular weight 272.20175 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dibutyl-2-ethyl-4,5-dimethyl-1,3,2λ5-diazaphosphole 2-oxide
Also Known As: 2-METHYL-2-PHENYL-CYCLOHEXANONE, 1,3,2-Diazaphosphol-4-ene, 2-ethyl-2-oxo-1,3-dibutyl-4,5-dimethyl-, 1,3-dibutyl-2-ethyl-4,5-dimethyl-1,3,2, J1.074.261G, 1,3-dibutyl-2-ethyl-4,5-dimethyl-1,3,2lambda5-diazaphosphole 2-oxide
| Molecular Formula | C14H29N2OP |
| Molecular Weight | 272.20175 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 272.20175 Da |
| Heavy Atoms | 18 |
| Complexity | 324.0 |
| SMILES | CCCCN1C(=C(N(P1(=O)CC)CCCC)C)C |
| InChIKey | XFRDMMKKZHCHBF-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 1,3,2-Diazaphosphol-4-ene, 2-ethyl-2-oxo-1,3-dibutyl-4,5-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, 1,3,2-Diazaphosphol-4-ene, 2-ethyl-2-oxo-1,3-dibutyl-4,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,2-Diazaphosphol-4-ene, 2-ethyl-2-oxo-1,3-dibutyl-4,5-dimethyl- 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 1,3,2-Diazaphosphol-4-ene, 2-ethyl-2-oxo-1,3-dibutyl-4,5-dimethyl- is 104728-29-2.
The molecular formula of 1,3,2-Diazaphosphol-4-ene, 2-ethyl-2-oxo-1,3-dibutyl-4,5-dimethyl- is C14H29N2OP.
The molecular weight of 1,3,2-Diazaphosphol-4-ene, 2-ethyl-2-oxo-1,3-dibutyl-4,5-dimethyl- is 272.20175 g/mol.
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