Ethyl 4,4-dimethoxy-3-oxobutanoate
TL;DR: Ethyl 4,4-dimethoxy-3-oxobutanoate (CAS 87133-84-4) is a chemical compound with molecular formula C8H14O5 and molecular weight 190.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,4-dimethoxy-3-oxobutanoate
Also Known As: ethyl 4,4-dimethoxy-3-oxobutanoate, NCIOpen2_000321, ethyl 4,4-dimethoxy-3-oxo-butyrate, ethyl 4,4-dimethoxy-3-oxo-butanoate, 3-aminoN,N-dimethyl4-nitroaniline
| Molecular Formula | C8H14O5 |
|---|---|
| Molecular Weight | 190.08 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 190.08412 |
| Heavy Atoms | 13 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 87133-84-4 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C(OC)OC |
| InChIKey | YKFZUZNJSXYIOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4,4-dimethoxy-3-oxobutanoate (CAS 87133-84-4), with molecular formula C8H14O5 and molecular weight 190.08 g/mol. IUPAC: ethyl 4,4-dimethoxy-3-oxobutanoate.
Chemical Property Profile of Ethyl 4,4-dimethoxy-3-oxobutanoate
Property Insights of Ethyl 4,4-dimethoxy-3-oxobutanoate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4,4-dimethoxy-3-oxobutanoate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4,4-dimethoxy-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 4,4-dimethoxy-3-oxobutanoate 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-dimethoxy-3-oxobutanoate?
The CAS number of Ethyl 4,4-dimethoxy-3-oxobutanoate is 87133-84-4.
What is the molecular formula of Ethyl 4,4-dimethoxy-3-oxobutanoate?
The molecular formula of Ethyl 4,4-dimethoxy-3-oxobutanoate is C8H14O5.
What is the molecular weight of Ethyl 4,4-dimethoxy-3-oxobutanoate?
The molecular weight of Ethyl 4,4-dimethoxy-3-oxobutanoate is 190.08 g/mol.
Where can I buy Ethyl 4,4-dimethoxy-3-oxobutanoate?
You can request a quote for Ethyl 4,4-dimethoxy-3-oxobutanoate 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-dimethoxy-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4,4-dimethoxy-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.