1,3-Cyclohexanedione, 2-methyl-2-(3-oxobutyl)-
TL;DR: 1,3-Cyclohexanedione, 2-methyl-2-(3-oxobutyl)- (CAS 5073-65-4) is a chemical compound with molecular formula C11H16O3 and molecular weight 196.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-(3-oxobutyl)cyclohexane-1,3-dione
Also Known As: 2-methyl-2-(3-oxobutyl)cyclohexane-1,3-dione, 1,3-Cyclohexanedione, 2-methyl-2-(3-oxobutyl)-, 2-Methyl-2-(3-oxobutyl)-1,3-cyclohexanedione, 1-Methyl-1-(3-oxobutyl)-2,6-cyclohexanedione, 2-(3-Oxobutyl)-2-methyl-1,3-cyclohexanedione
| Molecular Formula | C11H16O3 |
|---|---|
| Molecular Weight | 196.11 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.10994 |
| Heavy Atoms | 14 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 5073-65-4 |
|---|---|
| SMILES | CC(=O)CCC1(C(=O)CCCC1=O)C |
| InChIKey | ZNVNGGMKNCURSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Cyclohexanedione, 2-methyl-2-(3-oxobutyl)- (CAS 5073-65-4), with molecular formula C11H16O3 and molecular weight 196.11 g/mol. IUPAC: 2-methyl-2-(3-oxobutyl)cyclohexane-1,3-dione.
Chemical Property Profile of 1,3-Cyclohexanedione, 2-methyl-2-(3-oxobutyl)-
Property Insights of 1,3-Cyclohexanedione, 2-methyl-2-(3-oxobutyl)-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Cyclohexanedione, 2-methyl-2-(3-oxobutyl)-. With a topological polar surface area (TPSA) of 51.2 Ų, 1,3-Cyclohexanedione, 2-methyl-2-(3-oxobutyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Cyclohexanedione, 2-methyl-2-(3-oxobutyl)- has 0 hydrogen bond donor(s) and 3 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-methyl-2-(3-oxobutyl)-?
The CAS number of 1,3-Cyclohexanedione, 2-methyl-2-(3-oxobutyl)- is 5073-65-4.
What is the molecular formula of 1,3-Cyclohexanedione, 2-methyl-2-(3-oxobutyl)-?
The molecular formula of 1,3-Cyclohexanedione, 2-methyl-2-(3-oxobutyl)- is C11H16O3.
What is the molecular weight of 1,3-Cyclohexanedione, 2-methyl-2-(3-oxobutyl)-?
The molecular weight of 1,3-Cyclohexanedione, 2-methyl-2-(3-oxobutyl)- is 196.11 g/mol.
Where can I buy 1,3-Cyclohexanedione, 2-methyl-2-(3-oxobutyl)-?
You can request a quote for 1,3-Cyclohexanedione, 2-methyl-2-(3-oxobutyl)- 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-methyl-2-(3-oxobutyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Cyclohexanedione, 2-methyl-2-(3-oxobutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.