Methyl 3-acetyl-2,4-dioxocyclohexanecarboxylate
TL;DR: Methyl 3-acetyl-2,4-dioxocyclohexanecarboxylate (CAS 374699-17-9) is a chemical compound with molecular formula C10H12O5 and molecular weight 212.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-acetyl-2,4-dioxocyclohexane-1-carboxylate
Also Known As: methyl 3-acetyl-2,4-dioxocyclohexanecarboxylate, methyl 3-acetyl-2,4-dioxocyclohexane-1-carboxylate, Methyl 3-acetyl-2,4-dioxo-cyclohexane-1-carboxylate
| Molecular Formula | C10H12O5 |
|---|---|
| Molecular Weight | 212.07 g/mol |
| LogP | -0.0872 |
| Topological Polar Surface Area | 77.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.06847 |
| Heavy Atoms | 15 |
| Complexity | 330.70444 |
Chemical Identifiers
| CAS Number | 374699-17-9 |
|---|---|
| SMILES | CC(=O)C1C(=O)CCC(C1=O)C(=O)OC |
Product Overview
Methyl 3-acetyl-2,4-dioxocyclohexanecarboxylate (CAS 374699-17-9), with molecular formula C10H12O5 and molecular weight 212.07 g/mol. IUPAC: methyl 3-acetyl-2,4-dioxocyclohexane-1-carboxylate.
Chemical Property Profile of Methyl 3-acetyl-2,4-dioxocyclohexanecarboxylate
Property Insights of Methyl 3-acetyl-2,4-dioxocyclohexanecarboxylate
The XLogP value of -0.0872 indicates that Methyl 3-acetyl-2,4-dioxocyclohexanecarboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.51 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-acetyl-2,4-dioxocyclohexanecarboxylate. Following Lipinski's Rule of Five, Methyl 3-acetyl-2,4-dioxocyclohexanecarboxylate has 0 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 Methyl 3-acetyl-2,4-dioxocyclohexanecarboxylate?
The CAS number of Methyl 3-acetyl-2,4-dioxocyclohexanecarboxylate is 374699-17-9.
What is the molecular formula of Methyl 3-acetyl-2,4-dioxocyclohexanecarboxylate?
The molecular formula of Methyl 3-acetyl-2,4-dioxocyclohexanecarboxylate is C10H12O5.
What is the molecular weight of Methyl 3-acetyl-2,4-dioxocyclohexanecarboxylate?
The molecular weight of Methyl 3-acetyl-2,4-dioxocyclohexanecarboxylate is 212.07 g/mol.
Where can I buy Methyl 3-acetyl-2,4-dioxocyclohexanecarboxylate?
You can request a quote for Methyl 3-acetyl-2,4-dioxocyclohexanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-acetyl-2,4-dioxocyclohexanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-acetyl-2,4-dioxocyclohexanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.