2-Oxo-6-dehydroxyneoanisatin
TL;DR: 2-Oxo-6-dehydroxyneoanisatin (CAS 150026-96-3) is a chemical compound with molecular formula C15H18O7 and molecular weight 310.10526 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,5S,7R,8S,11R)-5,11-dihydroxy-2,7-dimethylspiro[9-oxatricyclo[6.3.1.01,5]dodecane-6,3'-oxetane]-2',3,10-trione
Also Known As: 2-Oxo-6-dehydroxyneoanisatin, 2-Oxo-6-deoxyneoanisatin, 2-Oxo-6-dehydroxyneoanisatin deriv., KST-1A1561, KST-1A1562
Technical Specifications
| Molecular Formula | C15H18O7 |
| Molecular Weight | 310.10526 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 310.10526 Da |
| Heavy Atoms | 22 |
| Complexity | 615.0 |
| SMILES | C[C@H]1[C@@H]2CC3([C@H](C(=O)C[C@]3(C14COC4=O)O)C)[C@H](C(=O)O2)O |
| InChIKey | PKSKJUUWVGTFQJ-YLJFTQHESA-N |
Chemical Property Profile of 2-Oxo-6-dehydroxyneoanisatin
Property Insights of 2-Oxo-6-dehydroxyneoanisatin
The XLogP value of -0.9 indicates that 2-Oxo-6-dehydroxyneoanisatin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-6-dehydroxyneoanisatin. Following Lipinski's Rule of Five, 2-Oxo-6-dehydroxyneoanisatin has 2 hydrogen bond donor(s) and 7 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-Oxo-6-dehydroxyneoanisatin?
The CAS number of 2-Oxo-6-dehydroxyneoanisatin is 150026-96-3.
What is the molecular formula of 2-Oxo-6-dehydroxyneoanisatin?
The molecular formula of 2-Oxo-6-dehydroxyneoanisatin is C15H18O7.
What is the molecular weight of 2-Oxo-6-dehydroxyneoanisatin?
The molecular weight of 2-Oxo-6-dehydroxyneoanisatin is 310.10526 g/mol.
Where can I buy 2-Oxo-6-dehydroxyneoanisatin?
You can request a quote for 2-Oxo-6-dehydroxyneoanisatin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Oxo-6-dehydroxyneoanisatin?
Yes, CoreyChem provides custom synthesis services for 2-Oxo-6-dehydroxyneoanisatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.