Ethyl 4,4-diethoxy-2-(ethoxymethylene)-3-oxovalerate
TL;DR: Ethyl 4,4-diethoxy-2-(ethoxymethylene)-3-oxovalerate (CAS 56563-25-8) is a chemical compound with molecular formula C14H24O6 and molecular weight 288.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,4-diethoxy-2-(ethoxymethylidene)-3-oxopentanoate
Also Known As: ethyl4,4-diethoxy-2-3-oxovalerate, Ethyl 4,4-diethoxy-2-(ethoxymethylene)-3-oxovalerate, ethyl 4,4-diethoxy-2-(ethoxymethylidene)-3-oxopentanoate, Ethyl 4,4-diethoxy-2-(ethoxymethylene)-3-oxopentanoate, N-cyclohexyl-5-fluoro-2,4-dioxo-pyrimidine-1-carboxamide
| Molecular Formula | C14H24O6 |
|---|---|
| Molecular Weight | 288.16 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 288.1573 |
| Heavy Atoms | 20 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 56563-25-8 |
|---|---|
| SMILES | CCOC=C(C(=O)C(C)(OCC)OCC)C(=O)OCC |
| InChIKey | RDUACTOLQQHQBU-UHFFFAOYSA-N |
Product Overview
Ethyl 4,4-diethoxy-2-(ethoxymethylene)-3-oxovalerate (CAS 56563-25-8), with molecular formula C14H24O6 and molecular weight 288.16 g/mol. IUPAC: ethyl 4,4-diethoxy-2-(ethoxymethylidene)-3-oxopentanoate.
Chemical Property Profile of Ethyl 4,4-diethoxy-2-(ethoxymethylene)-3-oxovalerate
Property Insights of Ethyl 4,4-diethoxy-2-(ethoxymethylene)-3-oxovalerate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4,4-diethoxy-2-(ethoxymethylene)-3-oxovalerate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4,4-diethoxy-2-(ethoxymethylene)-3-oxovalerate. Following Lipinski's Rule of Five, Ethyl 4,4-diethoxy-2-(ethoxymethylene)-3-oxovalerate has 0 hydrogen bond donor(s) and 6 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-2-(ethoxymethylene)-3-oxovalerate?
The CAS number of Ethyl 4,4-diethoxy-2-(ethoxymethylene)-3-oxovalerate is 56563-25-8.
What is the molecular formula of Ethyl 4,4-diethoxy-2-(ethoxymethylene)-3-oxovalerate?
The molecular formula of Ethyl 4,4-diethoxy-2-(ethoxymethylene)-3-oxovalerate is C14H24O6.
What is the molecular weight of Ethyl 4,4-diethoxy-2-(ethoxymethylene)-3-oxovalerate?
The molecular weight of Ethyl 4,4-diethoxy-2-(ethoxymethylene)-3-oxovalerate is 288.16 g/mol.
Where can I buy Ethyl 4,4-diethoxy-2-(ethoxymethylene)-3-oxovalerate?
You can request a quote for Ethyl 4,4-diethoxy-2-(ethoxymethylene)-3-oxovalerate 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-2-(ethoxymethylene)-3-oxovalerate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4,4-diethoxy-2-(ethoxymethylene)-3-oxovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.