ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoro-3-methylbutanoate
TL;DR: ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoro-3-methylbutanoate (CAS 2127-74-4) is a chemical compound with molecular formula C10H18FNO3 and molecular weight 219.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoro-3-methylbutanoate
Also Known As: ethyl 2-[(z)-ethoxy(imino)methyl]-2-fluoro-3-methylbutanoate, ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoro-3-methylbutanoate, ethyl 2-(ethoxy(imino)methyl)-2-fluoro-3-methylbutanoate
| Molecular Formula | C10H18FNO3 |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 219.12708 |
| Heavy Atoms | 15 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 2127-74-4 |
|---|---|
| SMILES | CCOC(=N)C(C(C)C)(C(=O)OCC)F |
| InChIKey | QNODYTBORJKIFK-UHFFFAOYSA-N |
Product Overview
ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoro-3-methylbutanoate (CAS 2127-74-4), with molecular formula C10H18FNO3 and molecular weight 219.13 g/mol. IUPAC: ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoro-3-methylbutanoate.
Chemical Property Profile of ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoro-3-methylbutanoate
Property Insights of ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoro-3-methylbutanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoro-3-methylbutanoate. With a topological polar surface area (TPSA) of 59.4 Ų, ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoro-3-methylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoro-3-methylbutanoate 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-fluoro-3-methylbutanoate?
The CAS number of ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoro-3-methylbutanoate is 2127-74-4.
What is the molecular formula of ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoro-3-methylbutanoate?
The molecular formula of ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoro-3-methylbutanoate is C10H18FNO3.
What is the molecular weight of ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoro-3-methylbutanoate?
The molecular weight of ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoro-3-methylbutanoate is 219.13 g/mol.
Where can I buy ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoro-3-methylbutanoate?
You can request a quote for ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoro-3-methylbutanoate 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-fluoro-3-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoro-3-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.