Ethyl acetimidate
TL;DR: Ethyl acetimidate (CAS 1000-84-6) is a chemical compound with molecular formula C4H9NO and molecular weight 87.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl ethanimidate
Also Known As: Ethyl acetimidate, ethyl ethanimidate, 1-Ethoxyethanimine, Ethyl ethanimidoate, Ethanimidic acid, ethyl ester
| Molecular Formula | C4H9NO |
|---|---|
| Molecular Weight | 87.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 87.06841 |
| Heavy Atoms | 6 |
| Complexity | 51.0 |
Chemical Identifiers
| CAS Number | 1000-84-6 |
|---|---|
| SMILES | CCOC(=N)C |
| InChIKey | JMIAPORGEDIDLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl acetimidate (CAS 1000-84-6), with molecular formula C4H9NO and molecular weight 87.07 g/mol. IUPAC: ethyl ethanimidate.
Chemical Property Profile of Ethyl acetimidate
Property Insights of Ethyl acetimidate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl acetimidate. With a topological polar surface area (TPSA) of 33.1 Ų, Ethyl acetimidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl acetimidate has 1 hydrogen bond donor(s) and 2 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 acetimidate?
The CAS number of Ethyl acetimidate is 1000-84-6.
What is the molecular formula of Ethyl acetimidate?
The molecular formula of Ethyl acetimidate is C4H9NO.
What is the molecular weight of Ethyl acetimidate?
The molecular weight of Ethyl acetimidate is 87.07 g/mol.
Where can I buy Ethyl acetimidate?
You can request a quote for Ethyl acetimidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl acetimidate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl acetimidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.