Methyl 2-(1-methyl-2,6-dioxocyclohexyl)acetate
TL;DR: Methyl 2-(1-methyl-2,6-dioxocyclohexyl)acetate (CAS 257941-63-2) 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-(1-methyl-2,6-dioxocyclohexyl)acetate
Also Known As: methyl 2-(1-methyl-2,6-dioxocyclohexyl)acetate, J1.255.042A, Methyl (1-methyl-2,6-dioxocyclohexyl)acetate, Methyl (1-methyl-2,6-dioxocyclohexyl)acetate #, 1-Methyl-2,6-dioxocyclohexaneacetic acid methyl ester
| Molecular Formula | C10H14O4 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.0892 |
| Heavy Atoms | 14 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 257941-63-2 |
|---|---|
| SMILES | CC1(C(=O)CCCC1=O)CC(=O)OC |
| InChIKey | FIMBJHGEULZSHJ-UHFFFAOYSA-N |
Product Overview
Methyl 2-(1-methyl-2,6-dioxocyclohexyl)acetate (CAS 257941-63-2), with molecular formula C10H14O4 and molecular weight 198.09 g/mol. IUPAC: methyl 2-(1-methyl-2,6-dioxocyclohexyl)acetate.
Chemical Property Profile of Methyl 2-(1-methyl-2,6-dioxocyclohexyl)acetate
Property Insights of Methyl 2-(1-methyl-2,6-dioxocyclohexyl)acetate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(1-methyl-2,6-dioxocyclohexyl)acetate. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(1-methyl-2,6-dioxocyclohexyl)acetate. Following Lipinski's Rule of Five, Methyl 2-(1-methyl-2,6-dioxocyclohexyl)acetate 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-(1-methyl-2,6-dioxocyclohexyl)acetate?
The CAS number of Methyl 2-(1-methyl-2,6-dioxocyclohexyl)acetate is 257941-63-2.
What is the molecular formula of Methyl 2-(1-methyl-2,6-dioxocyclohexyl)acetate?
The molecular formula of Methyl 2-(1-methyl-2,6-dioxocyclohexyl)acetate is C10H14O4.
What is the molecular weight of Methyl 2-(1-methyl-2,6-dioxocyclohexyl)acetate?
The molecular weight of Methyl 2-(1-methyl-2,6-dioxocyclohexyl)acetate is 198.09 g/mol.
Where can I buy Methyl 2-(1-methyl-2,6-dioxocyclohexyl)acetate?
You can request a quote for Methyl 2-(1-methyl-2,6-dioxocyclohexyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(1-methyl-2,6-dioxocyclohexyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(1-methyl-2,6-dioxocyclohexyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.