TL;DR: Isoxazolidinium, 2,2-bis(2-chloroethyl)-, iodide (CAS 101670-73-9) is a chemical compound with molecular formula C7H14Cl2INO and molecular weight 324.9497 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-bis(2-chloroethyl)-1,2-oxazolidin-2-ium iodide
Also Known As: 2,2-Bis(2-chloroethyl)isoxazolidinium iodide, ISOXAZOLIDINIUM, 2,2-BIS(2-CHLOROETHYL)-, IODIDE, 2,2-bis(2-chloroethyl)-1,2-oxazolidin-2-ium;iodide, Isoxazolidinium,2-bis(2-chloroethyl)- iodide, Isoxazolidinium,2,2-bis(2-chloroethyl)-, iodide (1:1)
| Molecular Formula | C7H14Cl2INO |
| Molecular Weight | 324.9497 g/mol |
| XLogP | -1.38 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.9497 Da |
| Heavy Atoms | 12 |
| Complexity | 115.0 |
| SMILES | C1C[N+](OC1)(CCCl)CCCl.[I-] |
| InChIKey | ATMKESHMTUZCAJ-UHFFFAOYSA-M |
The XLogP value of -1.38 indicates that Isoxazolidinium, 2,2-bis(2-chloroethyl)-, iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 9.2 Ų, Isoxazolidinium, 2,2-bis(2-chloroethyl)-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoxazolidinium, 2,2-bis(2-chloroethyl)-, iodide 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 Isoxazolidinium, 2,2-bis(2-chloroethyl)-, iodide is 101670-73-9.
The molecular formula of Isoxazolidinium, 2,2-bis(2-chloroethyl)-, iodide is C7H14Cl2INO.
The molecular weight of Isoxazolidinium, 2,2-bis(2-chloroethyl)-, iodide is 324.9497 g/mol.
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