ethyl 2-(C-ethoxycarbonimidoyl)-2-fluorobutanoate
TL;DR: ethyl 2-(C-ethoxycarbonimidoyl)-2-fluorobutanoate (CAS 16620-50-1) is a chemical compound with molecular formula C9H16FNO3 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(C-ethoxycarbonimidoyl)-2-fluorobutanoate
Also Known As: ethyl 2-(C-ethoxycarbonimidoyl)-2-fluorobutanoate, ethyl 2-[(z)-ethoxy(imino)methyl]-2-fluorobutanoate, Ethyl 2-[ethoxy(imino)methyl]-2-fluorobutanoate, Ethanaminium,2-(hydroxyamino)-N,N,N-trimethyl-2-oxo, Butanoic acid,2-(ethoxyiminomethyl)-2-fluoro-, ethyl ester
| Molecular Formula | C9H16FNO3 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 205.11142 |
| Heavy Atoms | 14 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 16620-50-1 |
|---|---|
| SMILES | CCC(C(=N)OCC)(C(=O)OCC)F |
| InChIKey | JUTCJGATDAGRNG-UHFFFAOYSA-N |
Product Overview
ethyl 2-(C-ethoxycarbonimidoyl)-2-fluorobutanoate (CAS 16620-50-1), with molecular formula C9H16FNO3 and molecular weight 205.11 g/mol. IUPAC: ethyl 2-(C-ethoxycarbonimidoyl)-2-fluorobutanoate.
Chemical Property Profile of ethyl 2-(C-ethoxycarbonimidoyl)-2-fluorobutanoate
Property Insights of ethyl 2-(C-ethoxycarbonimidoyl)-2-fluorobutanoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(C-ethoxycarbonimidoyl)-2-fluorobutanoate. With a topological polar surface area (TPSA) of 59.4 Ų, ethyl 2-(C-ethoxycarbonimidoyl)-2-fluorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-(C-ethoxycarbonimidoyl)-2-fluorobutanoate 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 2-(C-ethoxycarbonimidoyl)-2-fluorobutanoate?
The CAS number of ethyl 2-(C-ethoxycarbonimidoyl)-2-fluorobutanoate is 16620-50-1.
What is the molecular formula of ethyl 2-(C-ethoxycarbonimidoyl)-2-fluorobutanoate?
The molecular formula of ethyl 2-(C-ethoxycarbonimidoyl)-2-fluorobutanoate is C9H16FNO3.
What is the molecular weight of ethyl 2-(C-ethoxycarbonimidoyl)-2-fluorobutanoate?
The molecular weight of ethyl 2-(C-ethoxycarbonimidoyl)-2-fluorobutanoate is 205.11 g/mol.
Where can I buy ethyl 2-(C-ethoxycarbonimidoyl)-2-fluorobutanoate?
You can request a quote for ethyl 2-(C-ethoxycarbonimidoyl)-2-fluorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(C-ethoxycarbonimidoyl)-2-fluorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(C-ethoxycarbonimidoyl)-2-fluorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.