1,3-Cyclohexanedione, 4,6-di-t-butyl-
TL;DR: 1,3-Cyclohexanedione, 4,6-di-t-butyl- (CAS 55579-78-7) is a chemical compound with molecular formula C14H24O2 and molecular weight 224.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-ditert-butylcyclohexane-1,3-dione
Also Known As: 1,3-Cyclohexanedione, 4,6-di-t-butyl-, 4,6-ditert-butylcyclohexane-1,3-dione, 4,6-Ditert-butyl-1,3-cyclohexanedione #, 4,6-Bis(1,1-dimethylethyl)-1,3-cyclohexanedione
| Molecular Formula | C14H24O2 |
|---|---|
| Molecular Weight | 224.18 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.17763 |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 55579-78-7 |
|---|---|
| SMILES | CC(C)(C)C1CC(C(=O)CC1=O)C(C)(C)C |
| InChIKey | PBOAZMIKLGFMSU-UHFFFAOYSA-N |
Product Overview
1,3-Cyclohexanedione, 4,6-di-t-butyl- (CAS 55579-78-7), with molecular formula C14H24O2 and molecular weight 224.18 g/mol. IUPAC: 4,6-ditert-butylcyclohexane-1,3-dione.
Chemical Property Profile of 1,3-Cyclohexanedione, 4,6-di-t-butyl-
Property Insights of 1,3-Cyclohexanedione, 4,6-di-t-butyl-
The XLogP value of 3.5 indicates that 1,3-Cyclohexanedione, 4,6-di-t-butyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, 1,3-Cyclohexanedione, 4,6-di-t-butyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Cyclohexanedione, 4,6-di-t-butyl- has 0 hydrogen bond donor(s) and 2 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 1,3-Cyclohexanedione, 4,6-di-t-butyl-?
The CAS number of 1,3-Cyclohexanedione, 4,6-di-t-butyl- is 55579-78-7.
What is the molecular formula of 1,3-Cyclohexanedione, 4,6-di-t-butyl-?
The molecular formula of 1,3-Cyclohexanedione, 4,6-di-t-butyl- is C14H24O2.
What is the molecular weight of 1,3-Cyclohexanedione, 4,6-di-t-butyl-?
The molecular weight of 1,3-Cyclohexanedione, 4,6-di-t-butyl- is 224.18 g/mol.
Where can I buy 1,3-Cyclohexanedione, 4,6-di-t-butyl-?
You can request a quote for 1,3-Cyclohexanedione, 4,6-di-t-butyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Cyclohexanedione, 4,6-di-t-butyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Cyclohexanedione, 4,6-di-t-butyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.