TL;DR: 6,8-Dioxabicyclo[3.2.1]oct-2-en-4-one, 3-iodo-, (1S,5R)- (CAS 154977-43-2) is a chemical compound with molecular formula C6H5IO3 and molecular weight 251.92834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,5R)-3-iodo-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one
Also Known As: 6,8-Dioxabicyclo[3.2.1]oct-2-en-4-one, 3-iodo-, (1S,5R)-, J3.566.581A, (1S,5R)-3-iodo-6,8-dioxabicyclo[3.2.1]oct-2-en-4-one, (1S,5R)-3-iodo-6,8-dioxabicyclo[3.2.1]octan-4-one, (1alpha,5alpha)-3-Iodo-7,8-dioxabicyclo[3.2.1]octa-3-ene-2-one
| Molecular Formula | C6H5IO3 |
| Molecular Weight | 251.92834 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 251.92834 Da |
| Heavy Atoms | 10 |
| Complexity | 211.0 |
| SMILES | C1[C@@H]2C=C(C(=O)[C@H](O1)O2)I |
| InChIKey | DUDHOHCAGVMNQU-BBIVZNJYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,8-Dioxabicyclo[3.2.1]oct-2-en-4-one, 3-iodo-, (1S,5R)-. With a topological polar surface area (TPSA) of 35.5 Ų, 6,8-Dioxabicyclo[3.2.1]oct-2-en-4-one, 3-iodo-, (1S,5R)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,8-Dioxabicyclo[3.2.1]oct-2-en-4-one, 3-iodo-, (1S,5R)- 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 6,8-Dioxabicyclo[3.2.1]oct-2-en-4-one, 3-iodo-, (1S,5R)- is 154977-43-2.
The molecular formula of 6,8-Dioxabicyclo[3.2.1]oct-2-en-4-one, 3-iodo-, (1S,5R)- is C6H5IO3.
The molecular weight of 6,8-Dioxabicyclo[3.2.1]oct-2-en-4-one, 3-iodo-, (1S,5R)- is 251.92834 g/mol.
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