TL;DR: 5-(chloromethyl)-N-(2,2,3-trimethyl-3-bicyclo[2.2.1]heptanyl)-1,3-oxathiolan-2-imine (CAS 1214977-56-6) is a chemical compound with molecular formula C14H22ClNOS and molecular weight 287.11105 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(chloromethyl)-N-(2,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-oxathiolan-2-imine
Also Known As: 5-(chloromethyl)-N-(2,2,3-trimethyl-3-bicyclo[2.2.1]heptanyl)-1,3-oxathiolan-2-imine, [5-(chloromethyl)-1,3-oxathiolan-2-ylidene]-(2,3,3-trimethylnorbornan-2-yl)amine, (1S,2S,4R)-N-(5-(chloromethyl)-1,3-oxathiolan-2-ylidene)-2,3,3-trimethylbicyclo[2.2.1]heptan-2-amine, N-[(2Z)-5-(chloromethyl)-1,3-oxathiolan-2-ylidene]-2,3,3-trimethylbicyclo[2.2.1]heptan-2-amine, N-[5-(chloromethyl)-1,3-oxathiolan-2-ylidene]-2,3,3-trimethylbicyclo[2.2.1]heptan-2-amine
| Molecular Formula | C14H22ClNOS |
| Molecular Weight | 287.11105 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 46.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.11105 Da |
| Heavy Atoms | 18 |
| Complexity | 384.0 |
| SMILES | CC1(C2CCC(C2)C1(C)N=C3OC(CS3)CCl)C |
| InChIKey | WOZMOUDIKWPRNW-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 5-(chloromethyl)-N-(2,2,3-trimethyl-3-bicyclo[2.2.1]heptanyl)-1,3-oxathiolan-2-imine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.9 Ų, 5-(chloromethyl)-N-(2,2,3-trimethyl-3-bicyclo[2.2.1]heptanyl)-1,3-oxathiolan-2-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(chloromethyl)-N-(2,2,3-trimethyl-3-bicyclo[2.2.1]heptanyl)-1,3-oxathiolan-2-imine 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 5-(chloromethyl)-N-(2,2,3-trimethyl-3-bicyclo[2.2.1]heptanyl)-1,3-oxathiolan-2-imine is 1214977-56-6.
The molecular formula of 5-(chloromethyl)-N-(2,2,3-trimethyl-3-bicyclo[2.2.1]heptanyl)-1,3-oxathiolan-2-imine is C14H22ClNOS.
The molecular weight of 5-(chloromethyl)-N-(2,2,3-trimethyl-3-bicyclo[2.2.1]heptanyl)-1,3-oxathiolan-2-imine is 287.11105 g/mol.
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