Ethyl (2E)-2-(methoxyimino)-3-oxobutanoate
TL;DR: Ethyl (2E)-2-(methoxyimino)-3-oxobutanoate (CAS 66340-86-1) is a chemical compound with molecular formula C7H11NO4 and molecular weight 173.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-methoxyimino-3-oxobutanoate
Also Known As: Ceftriaxone Impurity 45, 2,3-Dioxobutyric acid 2-methyloxime ethyl ester, Ethyl 2-(methoxyimino)-3-oxobutanoate, ethyl (2E)-2-methoxyimino-3-oxobutanoate, Ethyl2-(methoxyimino)acetoacetate
| Molecular Formula | C7H11NO4 |
|---|---|
| Molecular Weight | 173.07 g/mol |
| LogP | 0.1409 |
| Topological Polar Surface Area | 64.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 173.0688 |
| Heavy Atoms | 12 |
| Complexity | 209.45192 |
Chemical Identifiers
| CAS Number | 66340-86-1 |
|---|---|
| SMILES | CCOC(=O)/C(=N/OC)/C(=O)C |
Product Overview
Ethyl (2E)-2-(methoxyimino)-3-oxobutanoate (CAS 66340-86-1), with molecular formula C7H11NO4 and molecular weight 173.07 g/mol. IUPAC: ethyl (2E)-2-methoxyimino-3-oxobutanoate.
Chemical Property Profile of Ethyl (2E)-2-(methoxyimino)-3-oxobutanoate
Property Insights of Ethyl (2E)-2-(methoxyimino)-3-oxobutanoate
The XLogP value of 0.1409 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2E)-2-(methoxyimino)-3-oxobutanoate. The TPSA of 64.96 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (2E)-2-(methoxyimino)-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl (2E)-2-(methoxyimino)-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 (2E)-2-(methoxyimino)-3-oxobutanoate?
The CAS number of Ethyl (2E)-2-(methoxyimino)-3-oxobutanoate is 66340-86-1.
What is the molecular formula of Ethyl (2E)-2-(methoxyimino)-3-oxobutanoate?
The molecular formula of Ethyl (2E)-2-(methoxyimino)-3-oxobutanoate is C7H11NO4.
What is the molecular weight of Ethyl (2E)-2-(methoxyimino)-3-oxobutanoate?
The molecular weight of Ethyl (2E)-2-(methoxyimino)-3-oxobutanoate is 173.07 g/mol.
Where can I buy Ethyl (2E)-2-(methoxyimino)-3-oxobutanoate?
You can request a quote for Ethyl (2E)-2-(methoxyimino)-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 (2E)-2-(methoxyimino)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2E)-2-(methoxyimino)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.