Methyl 6-methyl-2,4-cyclohexanedionecarboxylate
TL;DR: Methyl 6-methyl-2,4-cyclohexanedionecarboxylate (CAS 39493-62-4) is a chemical compound with molecular formula C9H12O4 and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-4,6-dioxocyclohexane-1-carboxylate
Also Known As: methyl 2-methyl-4,6-dioxocyclohexanecarboxylate, methyl 2-methyl-4,6-dioxocyclohexane-1-carboxylate, 4-carbomethoxy-5-methyl-1,3-cyclohexanedione, methyl 6-methyl-2,4-cyclohexanedione-1-carboxylate, methyl 2-methyl-4,6-dioxo-cyclohexanecarboxylate
| Molecular Formula | C9H12O4 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 0.3437 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.07356 |
| Heavy Atoms | 13 |
| Complexity | 256.3403 |
Chemical Identifiers
| CAS Number | 39493-62-4 |
|---|---|
| SMILES | CC1CC(=O)CC(=O)C1C(=O)OC |
Product Overview
Methyl 6-methyl-2,4-cyclohexanedionecarboxylate (CAS 39493-62-4), with molecular formula C9H12O4 and molecular weight 184.07 g/mol. IUPAC: methyl 2-methyl-4,6-dioxocyclohexane-1-carboxylate.
Chemical Property Profile of Methyl 6-methyl-2,4-cyclohexanedionecarboxylate
Property Insights of Methyl 6-methyl-2,4-cyclohexanedionecarboxylate
The XLogP value of 0.3437 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-methyl-2,4-cyclohexanedionecarboxylate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 6-methyl-2,4-cyclohexanedionecarboxylate. Following Lipinski's Rule of Five, Methyl 6-methyl-2,4-cyclohexanedionecarboxylate 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 Methyl 6-methyl-2,4-cyclohexanedionecarboxylate?
The CAS number of Methyl 6-methyl-2,4-cyclohexanedionecarboxylate is 39493-62-4.
What is the molecular formula of Methyl 6-methyl-2,4-cyclohexanedionecarboxylate?
The molecular formula of Methyl 6-methyl-2,4-cyclohexanedionecarboxylate is C9H12O4.
What is the molecular weight of Methyl 6-methyl-2,4-cyclohexanedionecarboxylate?
The molecular weight of Methyl 6-methyl-2,4-cyclohexanedionecarboxylate is 184.07 g/mol.
Where can I buy Methyl 6-methyl-2,4-cyclohexanedionecarboxylate?
You can request a quote for Methyl 6-methyl-2,4-cyclohexanedionecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 6-methyl-2,4-cyclohexanedionecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 6-methyl-2,4-cyclohexanedionecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.