TL;DR: 3,4-Dibromo-3,4-dimethyl-1-phenylphospholane 1-oxide (CAS 72620-94-1) is a chemical compound with molecular formula C12H15Br2OP and molecular weight 363.92273 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4-dibromo-3,4-dimethyl-1-phenyl-1λ5-phospholane 1-oxide
Also Known As: 3,4-dibromo-3,4-dimethyl-1-phenylphospholane 1-oxide, 3,4-dibromo-3,4-dimethyl-1-phenyl-1, E5-phospholane 1-oxide, 3,4-Dibromo-3,4-dimethyl-1-phenyl-1lambda~5~-phospholan-1-one
| Molecular Formula | C12H15Br2OP |
| Molecular Weight | 363.92273 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 363.92273 Da |
| Heavy Atoms | 16 |
| Complexity | 307.0 |
| SMILES | CC1(CP(=O)(CC1(C)Br)C2=CC=CC=C2)Br |
| InChIKey | IAYBDUDPRHKBMT-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dibromo-3,4-dimethyl-1-phenylphospholane 1-oxide. With a topological polar surface area (TPSA) of 17.1 Ų, 3,4-Dibromo-3,4-dimethyl-1-phenylphospholane 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dibromo-3,4-dimethyl-1-phenylphospholane 1-oxide 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 3,4-Dibromo-3,4-dimethyl-1-phenylphospholane 1-oxide is 72620-94-1.
The molecular formula of 3,4-Dibromo-3,4-dimethyl-1-phenylphospholane 1-oxide is C12H15Br2OP.
The molecular weight of 3,4-Dibromo-3,4-dimethyl-1-phenylphospholane 1-oxide is 363.92273 g/mol.
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