Methyl 5-butanoyl-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate
TL;DR: Methyl 5-butanoyl-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate (CAS 66421-41-8) is a chemical compound with molecular formula C14H20O5 and molecular weight 268.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-butanoyl-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate
Also Known As: methyl 5-butanoyl-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate, methyl 5-butyryl-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate, 6,6-Dimethyl-2,4-dioxo-3-(1-oxobutyl)cyclohexane-1-carboxylic acid methyl ester, methyl 5-butanoyl-2,2-dimethyl-4,6-dioxocyclohexanecarboxylate, 6,6-Dimethyl-2,4-dioxo-3- cyclohexane-1-carboxylicacidmethylester
| Molecular Formula | C14H20O5 |
|---|---|
| Molecular Weight | 268.13 g/mol |
| LogP | 1.3291 |
| Topological Polar Surface Area | 77.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.13107 |
| Heavy Atoms | 19 |
| Complexity | 421.55225 |
Chemical Identifiers
| CAS Number | 66421-41-8 |
|---|---|
| SMILES | CCCC(=O)C1C(=O)CC(C(C1=O)C(=O)OC)(C)C |
Product Overview
Methyl 5-butanoyl-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate (CAS 66421-41-8), with molecular formula C14H20O5 and molecular weight 268.13 g/mol. IUPAC: methyl 5-butanoyl-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate.
Chemical Property Profile of Methyl 5-butanoyl-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate
Property Insights of Methyl 5-butanoyl-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate
The XLogP value of 1.3291 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-butanoyl-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate. The TPSA of 77.51 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-butanoyl-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate. Following Lipinski's Rule of Five, Methyl 5-butanoyl-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate 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 5-butanoyl-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate?
The CAS number of Methyl 5-butanoyl-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate is 66421-41-8.
What is the molecular formula of Methyl 5-butanoyl-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate?
The molecular formula of Methyl 5-butanoyl-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate is C14H20O5.
What is the molecular weight of Methyl 5-butanoyl-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate?
The molecular weight of Methyl 5-butanoyl-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate is 268.13 g/mol.
Where can I buy Methyl 5-butanoyl-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate?
You can request a quote for Methyl 5-butanoyl-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-butanoyl-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-butanoyl-2,2-dimethyl-4,6-dioxocyclohexane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.