Methyl 2,2-diethylacetoacetate
TL;DR: Methyl 2,2-diethylacetoacetate (CAS 85153-63-5) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,2-diethyl-3-oxobutanoate
Also Known As: Methyl 2,2-diethylacetoacetate, methyl 2,2-diethyl-3-oxobutanoate, methyl2,2-diethylacetoacetate, EINECS 285-846-0, methyl2,2-diethyl-3-oxobutanoate
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 1.5548 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 180.21266 |
Chemical Identifiers
| CAS Number | 85153-63-5 |
|---|---|
| SMILES | CCC(CC)(C(=O)C)C(=O)OC |
Product Overview
Methyl 2,2-diethylacetoacetate (CAS 85153-63-5), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: methyl 2,2-diethyl-3-oxobutanoate.
Chemical Property Profile of Methyl 2,2-diethylacetoacetate
Property Insights of Methyl 2,2-diethylacetoacetate
The XLogP value of 1.5548 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,2-diethylacetoacetate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 2,2-diethylacetoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,2-diethylacetoacetate 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 Methyl 2,2-diethylacetoacetate?
The CAS number of Methyl 2,2-diethylacetoacetate is 85153-63-5.
What is the molecular formula of Methyl 2,2-diethylacetoacetate?
The molecular formula of Methyl 2,2-diethylacetoacetate is C9H16O3.
What is the molecular weight of Methyl 2,2-diethylacetoacetate?
The molecular weight of Methyl 2,2-diethylacetoacetate is 172.11 g/mol.
Where can I buy Methyl 2,2-diethylacetoacetate?
You can request a quote for Methyl 2,2-diethylacetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,2-diethylacetoacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,2-diethylacetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.