TL;DR: RefChem:311207 (CAS 109282-34-0) is a chemical compound with molecular formula C14H14O5 and molecular weight 262.08414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2S,3R,4R,5S)-5-phenyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
Also Known As: (2-exo,3-exo,5-endo)-5-Phenyl-7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, 5-phenyl-, (2-exo,3-exo,5-endo)-, 5-Phenyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, (1S,2S,3R,4R,5S)-5-phenyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
| Molecular Formula | C14H14O5 |
| Molecular Weight | 262.08414 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.08414 Da |
| Heavy Atoms | 19 |
| Complexity | 387.0 |
| SMILES | C1[C@H]([C@@H]2[C@@H]([C@@H]([C@H]1O2)C(=O)O)C(=O)O)C3=CC=CC=C3 |
| InChIKey | HNXJFWNLSTYCNJ-PREPNJAASA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:311207. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:311207. Following Lipinski's Rule of Five, RefChem:311207 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:311207 is 109282-34-0.
The molecular formula of RefChem:311207 is C14H14O5.
The molecular weight of RefChem:311207 is 262.08414 g/mol.
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