Ethyl 2,2-bis(isopropyl)acetoacetate
TL;DR: Ethyl 2,2-bis(isopropyl)acetoacetate (CAS 85153-64-6) is a chemical compound with molecular formula C12H22O3 and molecular weight 214.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetyl-3-methyl-2-propan-2-ylbutanoate
Also Known As: Ethyl 2,2-bis(isopropyl)acetoacetate, EINECS 285-847-6, ethyl 2-acetyl-3-methyl-2-propan-2-ylbutanoate, ethyl 2-acetyl-3-methyl-2-(propan-2-yl)butanoate, 2,2-Bis(1-methylethyl)-3-oxobutanoic acid ethyl ester
| Molecular Formula | C12H22O3 |
|---|---|
| Molecular Weight | 214.16 g/mol |
| LogP | 2.4369 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 214.15689 |
| Heavy Atoms | 15 |
| Complexity | 233.25179 |
Chemical Identifiers
| CAS Number | 85153-64-6 |
|---|---|
| SMILES | CCOC(=O)C(C(C)C)(C(C)C)C(=O)C |
Product Overview
Ethyl 2,2-bis(isopropyl)acetoacetate (CAS 85153-64-6), with molecular formula C12H22O3 and molecular weight 214.16 g/mol. IUPAC: ethyl 2-acetyl-3-methyl-2-propan-2-ylbutanoate.
Chemical Property Profile of Ethyl 2,2-bis(isopropyl)acetoacetate
Property Insights of Ethyl 2,2-bis(isopropyl)acetoacetate
The XLogP value of 2.4369 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,2-bis(isopropyl)acetoacetate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 2,2-bis(isopropyl)acetoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,2-bis(isopropyl)acetoacetate has 0 hydrogen bond donor(s) and 3 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 2,2-bis(isopropyl)acetoacetate?
The CAS number of Ethyl 2,2-bis(isopropyl)acetoacetate is 85153-64-6.
What is the molecular formula of Ethyl 2,2-bis(isopropyl)acetoacetate?
The molecular formula of Ethyl 2,2-bis(isopropyl)acetoacetate is C12H22O3.
What is the molecular weight of Ethyl 2,2-bis(isopropyl)acetoacetate?
The molecular weight of Ethyl 2,2-bis(isopropyl)acetoacetate is 214.16 g/mol.
Where can I buy Ethyl 2,2-bis(isopropyl)acetoacetate?
You can request a quote for Ethyl 2,2-bis(isopropyl)acetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,2-bis(isopropyl)acetoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,2-bis(isopropyl)acetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.