Ethyl 4,4-diethoxy-3-oxopentanoate
TL;DR: Ethyl 4,4-diethoxy-3-oxopentanoate (CAS 6312-89-6) is a chemical compound with molecular formula C11H20O5 and molecular weight 232.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,4-diethoxy-3-oxopentanoate
Also Known As: ethyl 4,4-diethoxy-3-oxopentanoate, ethyl 3-oxo-4,4-diethoxypentanoate, ethyl4,4-diethoxy-3-oxo-pentanoate, Valeric acid, 3,4-dioxo-, ethyl ester, 4-diethyl acetal, 4,4-Diethoxy-3-oxo-ethyl ester pentanoic acid
| Molecular Formula | C11H20O5 |
|---|---|
| Molecular Weight | 232.13 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 232.13107 |
| Heavy Atoms | 16 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 6312-89-6 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C(C)(OCC)OCC |
| InChIKey | FYBSJXMIKVNGSK-UHFFFAOYSA-N |
Product Overview
Ethyl 4,4-diethoxy-3-oxopentanoate (CAS 6312-89-6), with molecular formula C11H20O5 and molecular weight 232.13 g/mol. IUPAC: ethyl 4,4-diethoxy-3-oxopentanoate.
Chemical Property Profile of Ethyl 4,4-diethoxy-3-oxopentanoate
Property Insights of Ethyl 4,4-diethoxy-3-oxopentanoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4,4-diethoxy-3-oxopentanoate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4,4-diethoxy-3-oxopentanoate. Following Lipinski's Rule of Five, Ethyl 4,4-diethoxy-3-oxopentanoate 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 4,4-diethoxy-3-oxopentanoate?
The CAS number of Ethyl 4,4-diethoxy-3-oxopentanoate is 6312-89-6.
What is the molecular formula of Ethyl 4,4-diethoxy-3-oxopentanoate?
The molecular formula of Ethyl 4,4-diethoxy-3-oxopentanoate is C11H20O5.
What is the molecular weight of Ethyl 4,4-diethoxy-3-oxopentanoate?
The molecular weight of Ethyl 4,4-diethoxy-3-oxopentanoate is 232.13 g/mol.
Where can I buy Ethyl 4,4-diethoxy-3-oxopentanoate?
You can request a quote for Ethyl 4,4-diethoxy-3-oxopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4,4-diethoxy-3-oxopentanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4,4-diethoxy-3-oxopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.