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Ethyl 2-[(acetyloxy)imino]-3-oxobutanoate
TL;DR: Ethyl 2-[(acetyloxy)imino]-3-oxobutanoate (CAS 6267-89-6) is a chemical compound with molecular formula C8H11NO5 and molecular weight 201.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetyloxyimino-3-oxobutanoate
Also Known As: ethyl 2-acetyloxyimino-3-oxobutanoate, ethyl 2-[(acetyloxy)imino]-3-oxobutanoate, 2-acetoxyimino-3-oxo-butyric acid ethyl ester, ETHYL (2E)-2-ACETYLOXYIMINO-3-OXO-BUTANOATE
| Molecular Formula | C8H11NO5 |
|---|---|
| Molecular Weight | 201.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 201.06372 |
| Heavy Atoms | 14 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 6267-89-6 |
|---|---|
| SMILES | CCOC(=O)C(=NOC(=O)C)C(=O)C |
| InChIKey | FBFXYOUNAYNZPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-[(acetyloxy)imino]-3-oxobutanoate (CAS 6267-89-6), with molecular formula C8H11NO5 and molecular weight 201.06 g/mol. IUPAC: ethyl 2-acetyloxyimino-3-oxobutanoate.
Chemical Property Profile of Ethyl 2-[(acetyloxy)imino]-3-oxobutanoate
Property Insights of Ethyl 2-[(acetyloxy)imino]-3-oxobutanoate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[(acetyloxy)imino]-3-oxobutanoate. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(acetyloxy)imino]-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 2-[(acetyloxy)imino]-3-oxobutanoate 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 2-[(acetyloxy)imino]-3-oxobutanoate?
The CAS number of Ethyl 2-[(acetyloxy)imino]-3-oxobutanoate is 6267-89-6.
What is the molecular formula of Ethyl 2-[(acetyloxy)imino]-3-oxobutanoate?
The molecular formula of Ethyl 2-[(acetyloxy)imino]-3-oxobutanoate is C8H11NO5.
What is the molecular weight of Ethyl 2-[(acetyloxy)imino]-3-oxobutanoate?
The molecular weight of Ethyl 2-[(acetyloxy)imino]-3-oxobutanoate is 201.06 g/mol.
Where can I buy Ethyl 2-[(acetyloxy)imino]-3-oxobutanoate?
You can request a quote for Ethyl 2-[(acetyloxy)imino]-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 2-[(acetyloxy)imino]-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(acetyloxy)imino]-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.