TL;DR: Vinclozolin (CAS 50471-44-8) is a chemical compound with molecular formula C12H9Cl2NO3 and molecular weight 284.99594 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione
Also Known As: VINCLOZOLIN, Ronilan, Vinclozoline, Ornalin, Vorlan
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H9Cl2NO3 |
| Molecular Weight | 284.99594 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.99594 Da |
| Heavy Atoms | 18 |
| Complexity | 391.0 |
| Melting Point | 108 °C |
| Boiling Point | BP: 131 °C at 0.05 mm Hg |
| Density | 1.51 g/cu cm |
| Vapor Pressure | 0.00000012 [mmHg] |
| Solubility | White solid. MP 106-109 °C. Solubility in toluene 10.9; acetone33.4, methanol 1.54 (mg/L, 20 °C) (technical) |
| SMILES | CC1(C(=O)N(C(=O)O1)C2=CC(=CC(=C2)Cl)Cl)C=C |
| InChIKey | FSCWZHGZWWDELK-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that Vinclozolin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, Vinclozolin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vinclozolin 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 Vinclozolin is 50471-44-8.
The molecular formula of Vinclozolin is C12H9Cl2NO3.
The molecular weight of Vinclozolin is 284.99594 g/mol.
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