Ethyl 3,3-dimethyl-2-carbethoxylevulinate
TL;DR: Ethyl 3,3-dimethyl-2-carbethoxylevulinate (CAS 23228-70-8) is a chemical compound with molecular formula C12H20O5 and molecular weight 244.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(2-methyl-3-oxobutan-2-yl)propanedioate
Also Known As: ethyl 3,3-dimethyl-2-carbethoxylevulinate, diethyl (1,1-dimethyl-2-oxopropyl)malonate, 2-(1,1-dimethyl-2-oxo-propyl)-malonic acid diethyl ester, diethyl 2-(2-methyl-3-oxobutan-2-yl)propanedioate, Diethyl 2-(2-methyl-3-oxo-butan-2-yl)propanedioate
| Molecular Formula | C12H20O5 |
|---|---|
| Molecular Weight | 244.13 g/mol |
| LogP | 1.344 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 244.13107 |
| Heavy Atoms | 17 |
| Complexity | 288.01785 |
Chemical Identifiers
| CAS Number | 23228-70-8 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)C(C)(C)C(=O)C |
Product Overview
Ethyl 3,3-dimethyl-2-carbethoxylevulinate (CAS 23228-70-8), with molecular formula C12H20O5 and molecular weight 244.13 g/mol. IUPAC: diethyl 2-(2-methyl-3-oxobutan-2-yl)propanedioate.
Chemical Property Profile of Ethyl 3,3-dimethyl-2-carbethoxylevulinate
Property Insights of Ethyl 3,3-dimethyl-2-carbethoxylevulinate
The XLogP value of 1.344 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,3-dimethyl-2-carbethoxylevulinate. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3,3-dimethyl-2-carbethoxylevulinate. Following Lipinski's Rule of Five, Ethyl 3,3-dimethyl-2-carbethoxylevulinate 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 Ethyl 3,3-dimethyl-2-carbethoxylevulinate?
The CAS number of Ethyl 3,3-dimethyl-2-carbethoxylevulinate is 23228-70-8.
What is the molecular formula of Ethyl 3,3-dimethyl-2-carbethoxylevulinate?
The molecular formula of Ethyl 3,3-dimethyl-2-carbethoxylevulinate is C12H20O5.
What is the molecular weight of Ethyl 3,3-dimethyl-2-carbethoxylevulinate?
The molecular weight of Ethyl 3,3-dimethyl-2-carbethoxylevulinate is 244.13 g/mol.
Where can I buy Ethyl 3,3-dimethyl-2-carbethoxylevulinate?
You can request a quote for Ethyl 3,3-dimethyl-2-carbethoxylevulinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,3-dimethyl-2-carbethoxylevulinate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,3-dimethyl-2-carbethoxylevulinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.