1,3-Cyclohexanedione, 2,2'-butylidenebis[5,5-dimethyl-
TL;DR: 1,3-Cyclohexanedione, 2,2'-butylidenebis[5,5-dimethyl- (CAS 19419-22-8) is a chemical compound with molecular formula C20H30O4 and molecular weight 334.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)butyl]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: Maybridge3_003392, 1,3-Cyclohexanedione, 2,2'-butylidenebis[5,5-dimethyl-, IDI1_014779, 2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)butyl]-5,5-dimethylcyclohexane-1,3-dione, 2,2'-(Butane-1,1-diyl)bis(5,5-dimethylcyclohexane-1,3-dione)
| Molecular Formula | C20H30O4 |
|---|---|
| Molecular Weight | 334.21 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.21442 |
| Heavy Atoms | 24 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 19419-22-8 |
|---|---|
| SMILES | CCCC(C1C(=O)CC(CC1=O)(C)C)C2C(=O)CC(CC2=O)(C)C |
| InChIKey | WVBDYZQCWMMUAG-UHFFFAOYSA-N |
Product Overview
1,3-Cyclohexanedione, 2,2'-butylidenebis[5,5-dimethyl- (CAS 19419-22-8), with molecular formula C20H30O4 and molecular weight 334.21 g/mol. IUPAC: 2-[1-(4,4-dimethyl-2,6-dioxocyclohexyl)butyl]-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of 1,3-Cyclohexanedione, 2,2'-butylidenebis[5,5-dimethyl-
Property Insights of 1,3-Cyclohexanedione, 2,2'-butylidenebis[5,5-dimethyl-
The XLogP value of 3.3 indicates that 1,3-Cyclohexanedione, 2,2'-butylidenebis[5,5-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Cyclohexanedione, 2,2'-butylidenebis[5,5-dimethyl-. Following Lipinski's Rule of Five, 1,3-Cyclohexanedione, 2,2'-butylidenebis[5,5-dimethyl- has 0 hydrogen bond donor(s) and 4 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, 2,2'-butylidenebis[5,5-dimethyl-?
The CAS number of 1,3-Cyclohexanedione, 2,2'-butylidenebis[5,5-dimethyl- is 19419-22-8.
What is the molecular formula of 1,3-Cyclohexanedione, 2,2'-butylidenebis[5,5-dimethyl-?
The molecular formula of 1,3-Cyclohexanedione, 2,2'-butylidenebis[5,5-dimethyl- is C20H30O4.
What is the molecular weight of 1,3-Cyclohexanedione, 2,2'-butylidenebis[5,5-dimethyl-?
The molecular weight of 1,3-Cyclohexanedione, 2,2'-butylidenebis[5,5-dimethyl- is 334.21 g/mol.
Where can I buy 1,3-Cyclohexanedione, 2,2'-butylidenebis[5,5-dimethyl-?
You can request a quote for 1,3-Cyclohexanedione, 2,2'-butylidenebis[5,5-dimethyl- 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, 2,2'-butylidenebis[5,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Cyclohexanedione, 2,2'-butylidenebis[5,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.