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 408.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[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
| Molecular Formula | C25H28O5 |
|---|---|
| Molecular Weight | 408.19 g/mol |
| LogP | 5.0121 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 408.19366 |
| Heavy Atoms | 30 |
| Complexity | 1021.7295 |
Chemical Identifiers
| CAS Number | 15781-67-6 |
|---|---|
| SMILES | CC(=O)OC1=C(C(=O)CC(C1)(C)C)C2C3=CC=CC=C3OC4=C2C(=O)CC(C4)(C)C |
Product Overview
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), with molecular formula C25H28O5 and molecular weight 408.19 g/mol. IUPAC: [2-(3,3-dimethyl-1-oxo-4,9-dihydro-2H-xanthen-9-yl)-5,5-dimethyl-3-oxocyclohexen-1-yl] acetate.
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 5.0121 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 69.67 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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
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 408.19 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO 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, KEHONG BIO 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.