Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
TL;DR: Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate (CAS 59373-32-9) is a chemical compound with molecular formula C10H14O4 and molecular weight 198.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate
Also Known As: Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate, Maybridge1_006923, 4-methoxycarbonyldimedone, methyl 2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate, Methyl2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
| Molecular Formula | C10H14O4 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.0892 |
| Heavy Atoms | 14 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 59373-32-9 |
|---|---|
| SMILES | CC1(CC(=O)CC(=O)C1C(=O)OC)C |
| InChIKey | SVEBLMFGANLNNQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate (CAS 59373-32-9), with molecular formula C10H14O4 and molecular weight 198.09 g/mol. IUPAC: methyl 2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate.
Chemical Property Profile of Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
Property Insights of Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate. Following Lipinski's Rule of Five, Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate 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 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate?
The CAS number of Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate is 59373-32-9.
What is the molecular formula of Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate?
The molecular formula of Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate is C10H14O4.
What is the molecular weight of Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate?
The molecular weight of Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate is 198.09 g/mol.
Where can I buy Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate?
You can request a quote for Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,2-dimethyl-4,6-dioxocyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.