9beta-Hydroxymerulidial
TL;DR: 9beta-Hydroxymerulidial (CAS 108894-41-3) is a chemical compound with molecular formula C15H20O4 and molecular weight 264.13617 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1aR,2R,2aS,6aR)-2,2a-dihydroxy-1a,4,4-trimethyl-1,2,3,5-tetrahydrocyclopropa[f]indene-6,6a-dicarbaldehyde
Also Known As: 9beta-Hydroxymerulidial, 9-beta-Hydroxymerulidial, NIOSH/OX4007000, 9.BETA.-HYDROXYMERULIDIAL, Merulidial, 9-hydroxy-, (9-beta)-
Technical Specifications
| Molecular Formula | C15H20O4 |
| Molecular Weight | 264.13617 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.13617 Da |
| Heavy Atoms | 19 |
| Complexity | 520.0 |
| SMILES | C[C@@]12C[C@@]1(C(=C3CC(C[C@]3([C@@H]2O)O)(C)C)C=O)C=O |
| InChIKey | YOHHEVRXKIVTMR-UNQGMJICSA-N |
Chemical Property Profile of 9beta-Hydroxymerulidial
Property Insights of 9beta-Hydroxymerulidial
The XLogP value of -0.4 indicates that 9beta-Hydroxymerulidial is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 9beta-Hydroxymerulidial. Following Lipinski's Rule of Five, 9beta-Hydroxymerulidial has 2 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 9beta-Hydroxymerulidial?
The CAS number of 9beta-Hydroxymerulidial is 108894-41-3.
What is the molecular formula of 9beta-Hydroxymerulidial?
The molecular formula of 9beta-Hydroxymerulidial is C15H20O4.
What is the molecular weight of 9beta-Hydroxymerulidial?
The molecular weight of 9beta-Hydroxymerulidial is 264.13617 g/mol.
Where can I buy 9beta-Hydroxymerulidial?
You can request a quote for 9beta-Hydroxymerulidial directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9beta-Hydroxymerulidial?
Yes, CoreyChem provides custom synthesis services for 9beta-Hydroxymerulidial and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.