TL;DR: 1,3,2-Dioxaphosphorinane, 5,5-dimethyl-2-(phenylmethyl)-, 2-oxide (CAS 15761-96-3) is a chemical compound with molecular formula C12H17O3P and molecular weight 240.09154 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzyl-5,5-dimethyl-1,3,2λ5-dioxaphosphinane 2-oxide
Also Known As: 2-benzyl-5,5-dimethyl-1,3,2, 1,3,2-Dioxaphosphorinane, 5,5-dimethyl-2-(phenylmethyl)-, 2-oxide, 2-benzyl-2-oxo-1,3,2-dioxaphosphorinane, J2.708.611J, 2-Benzyl-5,5-dimethyl-1,3,2-dioxaphosphorinane 2-oxide
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H17O3P |
| Molecular Weight | 240.09154 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.09154 Da |
| Heavy Atoms | 16 |
| Complexity | 268.0 |
| SMILES | CC1(COP(=O)(OC1)CC2=CC=CC=C2)C |
| InChIKey | QULASSAQFUJMIP-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,2-Dioxaphosphorinane, 5,5-dimethyl-2-(phenylmethyl)-, 2-oxide. With a topological polar surface area (TPSA) of 35.5 Ų, 1,3,2-Dioxaphosphorinane, 5,5-dimethyl-2-(phenylmethyl)-, 2-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,2-Dioxaphosphorinane, 5,5-dimethyl-2-(phenylmethyl)-, 2-oxide 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-Dioxaphosphorinane, 5,5-dimethyl-2-(phenylmethyl)-, 2-oxide is 15761-96-3.
The molecular formula of 1,3,2-Dioxaphosphorinane, 5,5-dimethyl-2-(phenylmethyl)-, 2-oxide is C12H17O3P.
The molecular weight of 1,3,2-Dioxaphosphorinane, 5,5-dimethyl-2-(phenylmethyl)-, 2-oxide is 240.09154 g/mol.
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