2-Deoxy-2-fluoroinositol
TL;DR: 2-Deoxy-2-fluoroinositol (CAS 116049-87-7) is a chemical compound with molecular formula C6H11FO5 and molecular weight 182.05905 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2S,4S,5R)-6-fluorocyclohexane-1,2,3,4,5-pentol
Also Known As: 2-Deoxy-2-fluoroinositol, 2-Deoxy-2-fluoro-myo-inositol, 3-Deoxy-3-fluoroinositol, DL-epi-Inositol, 2-deoxy-2-fluoro-, (+)-4-Deoxy-4-fluoro-D-myo-inositol
Technical Specifications
| Molecular Formula | C6H11FO5 |
| Molecular Weight | 182.05905 g/mol |
| XLogP | -2.7 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.05905 Da |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
| SMILES | [C@H]1([C@H](C([C@H]([C@H](C1O)O)O)F)O)O |
| InChIKey | PDTJJYSBSOKEOY-GCVPSNMTSA-N |
Chemical Property Profile of 2-Deoxy-2-fluoroinositol
Property Insights of 2-Deoxy-2-fluoroinositol
The XLogP value of -2.7 indicates that 2-Deoxy-2-fluoroinositol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Deoxy-2-fluoroinositol. Following Lipinski's Rule of Five, 2-Deoxy-2-fluoroinositol has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Deoxy-2-fluoroinositol?
The CAS number of 2-Deoxy-2-fluoroinositol is 116049-87-7.
What is the molecular formula of 2-Deoxy-2-fluoroinositol?
The molecular formula of 2-Deoxy-2-fluoroinositol is C6H11FO5.
What is the molecular weight of 2-Deoxy-2-fluoroinositol?
The molecular weight of 2-Deoxy-2-fluoroinositol is 182.05905 g/mol.
Where can I buy 2-Deoxy-2-fluoroinositol?
You can request a quote for 2-Deoxy-2-fluoroinositol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Deoxy-2-fluoroinositol?
Yes, CoreyChem provides custom synthesis services for 2-Deoxy-2-fluoroinositol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.