TL;DR: 1H-Phosphole, 2,5-dihydro-1,3-dimethyl-, 1-oxide (CAS 15450-79-0) is a chemical compound with molecular formula C6H11OP and molecular weight 130.05475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dimethyl-2,5-dihydro-1λ5-phosphole 1-oxide
Also Known As: 1H-Phosphole, 2,5-dihydro-1,3-dimethyl-, 1-oxide, 1,3-Dimethyl-2,5-dihydro-1H-phosphole 1-oxide, 1,3-dimethyl-2,5-dihydro-1, 1,3-dimethyl-3-phospholene 1-oxide, KST-1B0718
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6H11OP |
| Molecular Weight | 130.05475 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 130.05475 Da |
| Heavy Atoms | 8 |
| Complexity | 169.0 |
| SMILES | CC1=CCP(=O)(C1)C |
| InChIKey | IAWDXWMSIQOZTQ-UHFFFAOYSA-N |
The XLogP value of -0.5 indicates that 1H-Phosphole, 2,5-dihydro-1,3-dimethyl-, 1-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 17.1 Ų, 1H-Phosphole, 2,5-dihydro-1,3-dimethyl-, 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Phosphole, 2,5-dihydro-1,3-dimethyl-, 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 1H-Phosphole, 2,5-dihydro-1,3-dimethyl-, 1-oxide is 15450-79-0.
The molecular formula of 1H-Phosphole, 2,5-dihydro-1,3-dimethyl-, 1-oxide is C6H11OP.
The molecular weight of 1H-Phosphole, 2,5-dihydro-1,3-dimethyl-, 1-oxide is 130.05475 g/mol.
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