2,2',2''-Propane-1,1,3-triyltris(5,5-dimethylcyclohexane-1,3-dione)
TL;DR: 2,2',2''-Propane-1,1,3-triyltris(5,5-dimethylcyclohexane-1,3-dione) (CAS 573949-40-3) is a chemical compound with molecular formula C27H38O6 and molecular weight 458.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3,3-bis(4,4-dimethyl-2,6-dioxocyclohexyl)propyl]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: 2,2',2''-(propane-1,1,3-triyl)tris(5,5-dimethylcyclohexane-1,3-dione), 2,2',2''-propane-1,1,3-triyltris(5,5-dimethylcyclohexane-1,3-dione), 2-[1,3-bis(4,4-dimethyl-2,6-dioxo-cyclohexyl)propyl]-5,5-dimethyl-cyclohexane-1,3-dione, 2-[3,3-bis(4,4-dimethyl-2,6-dioxocyclohexyl)propyl]-5,5-dimethylcyclohexane-1,3-dione
| Molecular Formula | C27H38O6 |
|---|---|
| Molecular Weight | 458.27 g/mol |
| LogP | 4.106 |
| Topological Polar Surface Area | 102.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.26685 |
| Heavy Atoms | 33 |
| Complexity | 797.5724 |
Chemical Identifiers
| CAS Number | 573949-40-3 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)CCC(C2C(=O)CC(CC2=O)(C)C)C3C(=O)CC(CC3=O)(C)C)C |
Product Overview
2,2',2''-Propane-1,1,3-triyltris(5,5-dimethylcyclohexane-1,3-dione) (CAS 573949-40-3), with molecular formula C27H38O6 and molecular weight 458.27 g/mol. IUPAC: 2-[3,3-bis(4,4-dimethyl-2,6-dioxocyclohexyl)propyl]-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of 2,2',2''-Propane-1,1,3-triyltris(5,5-dimethylcyclohexane-1,3-dione)
Property Insights of 2,2',2''-Propane-1,1,3-triyltris(5,5-dimethylcyclohexane-1,3-dione)
The XLogP value of 4.106 indicates that 2,2',2''-Propane-1,1,3-triyltris(5,5-dimethylcyclohexane-1,3-dione) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2',2''-Propane-1,1,3-triyltris(5,5-dimethylcyclohexane-1,3-dione). Following Lipinski's Rule of Five, 2,2',2''-Propane-1,1,3-triyltris(5,5-dimethylcyclohexane-1,3-dione) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2',2''-Propane-1,1,3-triyltris(5,5-dimethylcyclohexane-1,3-dione)?
The CAS number of 2,2',2''-Propane-1,1,3-triyltris(5,5-dimethylcyclohexane-1,3-dione) is 573949-40-3.
What is the molecular formula of 2,2',2''-Propane-1,1,3-triyltris(5,5-dimethylcyclohexane-1,3-dione)?
The molecular formula of 2,2',2''-Propane-1,1,3-triyltris(5,5-dimethylcyclohexane-1,3-dione) is C27H38O6.
What is the molecular weight of 2,2',2''-Propane-1,1,3-triyltris(5,5-dimethylcyclohexane-1,3-dione)?
The molecular weight of 2,2',2''-Propane-1,1,3-triyltris(5,5-dimethylcyclohexane-1,3-dione) is 458.27 g/mol.
Where can I buy 2,2',2''-Propane-1,1,3-triyltris(5,5-dimethylcyclohexane-1,3-dione)?
You can request a quote for 2,2',2''-Propane-1,1,3-triyltris(5,5-dimethylcyclohexane-1,3-dione) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2',2''-Propane-1,1,3-triyltris(5,5-dimethylcyclohexane-1,3-dione)?
Yes, KEHONG BIO provides custom synthesis services for 2,2',2''-Propane-1,1,3-triyltris(5,5-dimethylcyclohexane-1,3-dione) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.