TL;DR: Dihydro-4,5-dichloro-2(3H)-furanone (CAS 114434-99-0) is a chemical compound with molecular formula C4H4Cl2O2 and molecular weight 153.95883 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5-dichlorooxolan-2-one
Also Known As: 4,5-dichlorooxolan-2-one, 4,5-Dichlorodihydro-2(3H)-furanone, dihydro-4,5-dichloro-2(3H)-furanone, 4,5-dichlorodihydrofuran-2(3H)-one, Dihydro-4,5-dichloro-2(3H)furanone
| Molecular Formula | C4H4Cl2O2 |
| Molecular Weight | 153.95883 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.95883 Da |
| Heavy Atoms | 8 |
| Complexity | 115.0 |
| SMILES | C1C(C(OC1=O)Cl)Cl |
| InChIKey | XBHAKMVKQPJLNK-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dihydro-4,5-dichloro-2(3H)-furanone. With a topological polar surface area (TPSA) of 26.3 Ų, Dihydro-4,5-dichloro-2(3H)-furanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dihydro-4,5-dichloro-2(3H)-furanone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Dihydro-4,5-dichloro-2(3H)-furanone is 114434-99-0.
The molecular formula of Dihydro-4,5-dichloro-2(3H)-furanone is C4H4Cl2O2.
The molecular weight of Dihydro-4,5-dichloro-2(3H)-furanone is 153.95883 g/mol.
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