ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoropentanoate
TL;DR: ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoropentanoate (CAS 21272-91-3) 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-fluoropentanoate
Also Known As: ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoropentanoate, ETHYL 2-(ETHOXYCARBONIMIDOYL)-2-FLUORO-PENTANOATE, ethyl 2-[(z)-ethoxy(imino)methyl]-2-fluoropentanoate, ethyl 2-(ethoxy(imino)methyl)-2-fluoropentanoate, ethyl(3z)-3-ethoxy-2-fluoro-3-imino-2-methylpropanoate
| Molecular Formula | C10H18FNO3 |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 219.12708 |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 21272-91-3 |
|---|---|
| SMILES | CCCC(C(=N)OCC)(C(=O)OCC)F |
| InChIKey | PBQJWTWKVNHMCV-UHFFFAOYSA-N |
Product Overview
ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoropentanoate (CAS 21272-91-3), with molecular formula C10H18FNO3 and molecular weight 219.13 g/mol. IUPAC: ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoropentanoate.
Chemical Property Profile of ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoropentanoate
Property Insights of ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoropentanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoropentanoate. With a topological polar surface area (TPSA) of 59.4 Ų, ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoropentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoropentanoate 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-fluoropentanoate?
The CAS number of ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoropentanoate is 21272-91-3.
What is the molecular formula of ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoropentanoate?
The molecular formula of ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoropentanoate is C10H18FNO3.
What is the molecular weight of ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoropentanoate?
The molecular weight of ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoropentanoate is 219.13 g/mol.
Where can I buy ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoropentanoate?
You can request a quote for ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoropentanoate 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-fluoropentanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(C-ethoxycarbonimidoyl)-2-fluoropentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.