2-(3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl)-5,5-dimethyl-3-oxocyclohex-1-en-1-yl acetate
TL;DR: 2-(3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl)-5,5-dimethyl-3-oxocyclohex-1-en-1-yl acetate (CAS 15781-67-6) is a chemical compound with molecular formula C25H28O5 and molecular weight 408.19366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-5,5-dimethyl-3-oxocyclohexen-1-yl] acetate
Also Known As: 2-(3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl)-5,5-dimethyl-3-oxocyclohex-1-en-1-yl acetate, [2-(3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-5,5-dimethyl-3-oxocyclohexen-1-yl] acetate
Technical Specifications
| Molecular Formula | C25H28O5 |
| Molecular Weight | 408.19366 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.19366 Da |
| Heavy Atoms | 30 |
| Complexity | 857.0 |
| SMILES | CC(=O)OC1=C(C(=O)CC(C1)(C)C)C2C3=CC=CC=C3OC4=C2C(=O)CC(C4)(C)C |
| InChIKey | MBNUYNRJAIEFPR-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl)-5,5-dimethyl-3-oxocyclohex-1-en-1-yl acetate
Property Insights of 2-(3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl)-5,5-dimethyl-3-oxocyclohex-1-en-1-yl acetate
The XLogP value of 3.7 indicates that 2-(3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl)-5,5-dimethyl-3-oxocyclohex-1-en-1-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl)-5,5-dimethyl-3-oxocyclohex-1-en-1-yl acetate. Following Lipinski's Rule of Five, 2-(3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl)-5,5-dimethyl-3-oxocyclohex-1-en-1-yl acetate has 0 hydrogen bond donor(s) and 5 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-(3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl)-5,5-dimethyl-3-oxocyclohex-1-en-1-yl acetate?
The CAS number of 2-(3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl)-5,5-dimethyl-3-oxocyclohex-1-en-1-yl acetate is 15781-67-6.
What is the molecular formula of 2-(3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl)-5,5-dimethyl-3-oxocyclohex-1-en-1-yl acetate?
The molecular formula of 2-(3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl)-5,5-dimethyl-3-oxocyclohex-1-en-1-yl acetate is C25H28O5.
What is the molecular weight of 2-(3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl)-5,5-dimethyl-3-oxocyclohex-1-en-1-yl acetate?
The molecular weight of 2-(3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl)-5,5-dimethyl-3-oxocyclohex-1-en-1-yl acetate is 408.19366 g/mol.
Where can I buy 2-(3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl)-5,5-dimethyl-3-oxocyclohex-1-en-1-yl acetate?
You can request a quote for 2-(3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl)-5,5-dimethyl-3-oxocyclohex-1-en-1-yl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl)-5,5-dimethyl-3-oxocyclohex-1-en-1-yl acetate?
Yes, CoreyChem provides custom synthesis services for 2-(3,3-dimethyl-1-oxo-2,3,4,9-tetrahydro-1H-xanthen-9-yl)-5,5-dimethyl-3-oxocyclohex-1-en-1-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.