![2-[(4,4-dimethyl-2,6-dioxocyclohexyl)(5-methyl-2-thienyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione structure](/static/products/314/314283-37-9.png)
2-[(4,4-dimethyl-2,6-dioxocyclohexyl)(5-methyl-2-thienyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione
TL;DR: 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)(5-methyl-2-thienyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione (CAS 314283-37-9) is a chemical compound with molecular formula C22H28O4S and molecular weight 388.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(5-methylthiophen-2-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
Also Known As: 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)(5-methyl-2-thienyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione, 2-[(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)(5-methyl-2-thienyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione, 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(5-methylthiophen-2-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione, 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)(5-methylthiophen-2-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione, 2-[(6-hydroxy-4,4-dimethyl-2-oxocyclohex-1(6)-enyl)(5-methyl(2-thienyl))methyl ]-5,5-dimethylcyclohexane-1,3-dione
| Molecular Formula | C22H28O4S |
|---|---|
| Molecular Weight | 388.17 g/mol |
| LogP | 4.91572 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 388.17084 |
| Heavy Atoms | 27 |
| Complexity | 820.24915 |
Chemical Identifiers
| CAS Number | 314283-37-9 |
|---|---|
| SMILES | CC1=CC=C(S1)C(C2C(=O)CC(CC2=O)(C)C)C3=C(CC(CC3=O)(C)C)O |
Product Overview
2-[(4,4-dimethyl-2,6-dioxocyclohexyl)(5-methyl-2-thienyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione (CAS 314283-37-9), with molecular formula C22H28O4S and molecular weight 388.17 g/mol. IUPAC: 2-[(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-(5-methylthiophen-2-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)(5-methyl-2-thienyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione
Property Insights of 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)(5-methyl-2-thienyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione
The XLogP value of 4.91572 indicates that 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)(5-methyl-2-thienyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)(5-methyl-2-thienyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione. Following Lipinski's Rule of Five, 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)(5-methyl-2-thienyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione has 1 hydrogen bond donor(s) and 5 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-[(4,4-dimethyl-2,6-dioxocyclohexyl)(5-methyl-2-thienyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione?
The CAS number of 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)(5-methyl-2-thienyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione is 314283-37-9.
What is the molecular formula of 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)(5-methyl-2-thienyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione?
The molecular formula of 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)(5-methyl-2-thienyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione is C22H28O4S.
What is the molecular weight of 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)(5-methyl-2-thienyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione?
The molecular weight of 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)(5-methyl-2-thienyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione is 388.17 g/mol.
Where can I buy 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)(5-methyl-2-thienyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione?
You can request a quote for 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)(5-methyl-2-thienyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)(5-methyl-2-thienyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)(5-methyl-2-thienyl)methyl]-5,5-dimethyl-1,3-cyclohexanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.