Ethyl 3-ethoxy-2-fluoro-3-imino-2-methylpropanoate
TL;DR: Ethyl 3-ethoxy-2-fluoro-3-imino-2-methylpropanoate (CAS 21271-99-8) is a chemical compound with molecular formula C8H14FNO3 and molecular weight 191.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-ethoxy-2-fluoro-3-imino-2-methylpropanoate
Also Known As: NCIOpen2_000678, ethyl 3-ethoxy-2-fluoro-3-imino-2-methylpropanoate, Ethyl-2-(1-Ethoxyformimidoyl)-2-fluoropropionate, ethyl(3z)-3-ethoxy-2-fluoro-3-imino-2-methylpropanoate, Propanoic acid,3-ethoxy-2-fluoro-3-imino-2-methyl-, ethyl ester
| Molecular Formula | C8H14FNO3 |
|---|---|
| Molecular Weight | 191.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 191.09576 |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 21271-99-8 |
|---|---|
| SMILES | CCOC(=N)C(C)(C(=O)OCC)F |
| InChIKey | AMAQFWKTSQEKQA-UHFFFAOYSA-N |
Product Overview
Ethyl 3-ethoxy-2-fluoro-3-imino-2-methylpropanoate (CAS 21271-99-8), with molecular formula C8H14FNO3 and molecular weight 191.10 g/mol. IUPAC: ethyl 3-ethoxy-2-fluoro-3-imino-2-methylpropanoate.
Chemical Property Profile of Ethyl 3-ethoxy-2-fluoro-3-imino-2-methylpropanoate
Property Insights of Ethyl 3-ethoxy-2-fluoro-3-imino-2-methylpropanoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-ethoxy-2-fluoro-3-imino-2-methylpropanoate. With a topological polar surface area (TPSA) of 59.4 Ų, Ethyl 3-ethoxy-2-fluoro-3-imino-2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-ethoxy-2-fluoro-3-imino-2-methylpropanoate has 1 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 3-ethoxy-2-fluoro-3-imino-2-methylpropanoate?
The CAS number of Ethyl 3-ethoxy-2-fluoro-3-imino-2-methylpropanoate is 21271-99-8.
What is the molecular formula of Ethyl 3-ethoxy-2-fluoro-3-imino-2-methylpropanoate?
The molecular formula of Ethyl 3-ethoxy-2-fluoro-3-imino-2-methylpropanoate is C8H14FNO3.
What is the molecular weight of Ethyl 3-ethoxy-2-fluoro-3-imino-2-methylpropanoate?
The molecular weight of Ethyl 3-ethoxy-2-fluoro-3-imino-2-methylpropanoate is 191.10 g/mol.
Where can I buy Ethyl 3-ethoxy-2-fluoro-3-imino-2-methylpropanoate?
You can request a quote for Ethyl 3-ethoxy-2-fluoro-3-imino-2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-ethoxy-2-fluoro-3-imino-2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-ethoxy-2-fluoro-3-imino-2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.