Ethyl 3-(hydroxyimino)butanoate
TL;DR: Ethyl 3-(hydroxyimino)butanoate (CAS 5447-76-7) is a chemical compound with molecular formula C6H11NO3 and molecular weight 145.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-hydroxyiminobutanoate
Also Known As: ethyl 3-hydroxyiminobutanoate, ethyl acetoacetate oxime, ethyl 3-(hydroxyimino)butanoate, 3-Hydroxyimino-buttersaeure-aethylester, Butanoic acid,3-(hydroxyimino)-, ethyl ester
| Molecular Formula | C6H11NO3 |
|---|---|
| Molecular Weight | 145.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 145.0739 |
| Heavy Atoms | 10 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 5447-76-7 |
|---|---|
| SMILES | CCOC(=O)CC(=NO)C |
| InChIKey | RCKJUUVOLJLKQX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-(hydroxyimino)butanoate (CAS 5447-76-7), with molecular formula C6H11NO3 and molecular weight 145.07 g/mol. IUPAC: ethyl 3-hydroxyiminobutanoate.
Chemical Property Profile of Ethyl 3-(hydroxyimino)butanoate
Property Insights of Ethyl 3-(hydroxyimino)butanoate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(hydroxyimino)butanoate. With a topological polar surface area (TPSA) of 58.9 Ų, Ethyl 3-(hydroxyimino)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(hydroxyimino)butanoate has 1 hydrogen bond donor(s) and 4 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 3-(hydroxyimino)butanoate?
The CAS number of Ethyl 3-(hydroxyimino)butanoate is 5447-76-7.
What is the molecular formula of Ethyl 3-(hydroxyimino)butanoate?
The molecular formula of Ethyl 3-(hydroxyimino)butanoate is C6H11NO3.
What is the molecular weight of Ethyl 3-(hydroxyimino)butanoate?
The molecular weight of Ethyl 3-(hydroxyimino)butanoate is 145.07 g/mol.
Where can I buy Ethyl 3-(hydroxyimino)butanoate?
You can request a quote for Ethyl 3-(hydroxyimino)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(hydroxyimino)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(hydroxyimino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.