9-Deoxygoniopypyrone
TL;DR: 9-Deoxygoniopypyrone (CAS 136685-37-5) is a chemical compound with molecular formula C13H14O4 and molecular weight 234.0892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,5R,7S,8S)-8-hydroxy-7-phenyl-2,6-dioxabicyclo[3.3.1]nonan-3-one
Also Known As: 9-Deoxygoniopypyrone, 9303AF, 4CN-2767, J2.467.680C, (1R,5R,7S,8S)-8-HYDROXY-7-PHENYL-2,6-DIOXABICYCLO[3.3.1]NONAN-3-ONE
Technical Specifications
| Molecular Formula | C13H14O4 |
| Molecular Weight | 234.0892 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.0892 Da |
| Heavy Atoms | 17 |
| Complexity | 298.0 |
| SMILES | C1[C@@H]2CC(=O)O[C@H]1[C@@H]([C@@H](O2)C3=CC=CC=C3)O |
| InChIKey | ZPVLUTBGTWEMGV-AAXDQBDMSA-N |
Chemical Property Profile of 9-Deoxygoniopypyrone
Property Insights of 9-Deoxygoniopypyrone
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Deoxygoniopypyrone. With a topological polar surface area (TPSA) of 55.8 Ų, 9-Deoxygoniopypyrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Deoxygoniopypyrone has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 9-Deoxygoniopypyrone?
The CAS number of 9-Deoxygoniopypyrone is 136685-37-5.
What is the molecular formula of 9-Deoxygoniopypyrone?
The molecular formula of 9-Deoxygoniopypyrone is C13H14O4.
What is the molecular weight of 9-Deoxygoniopypyrone?
The molecular weight of 9-Deoxygoniopypyrone is 234.0892 g/mol.
Where can I buy 9-Deoxygoniopypyrone?
You can request a quote for 9-Deoxygoniopypyrone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9-Deoxygoniopypyrone?
Yes, CoreyChem provides custom synthesis services for 9-Deoxygoniopypyrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.