Ethyl 9-fluoro-3-oxononanoate
TL;DR: Ethyl 9-fluoro-3-oxononanoate (CAS 502-36-3) is a chemical compound with molecular formula C11H19FO3 and molecular weight 218.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 9-fluoro-3-oxononanoate
Also Known As: Ethyl 9-fluoro-3-oxononanoate, Ethyl omega-fluoro-3-oxononanoate, 9-Fluoro-3-oxononanoicacidethylester, 9-Fluoro-3-oxononanoic acid ethyl ester, 9-fluoro-3-oxo-nonanoic acid ethyl ester
| Molecular Formula | C11H19FO3 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 218.13182 |
| Heavy Atoms | 15 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 502-36-3 |
|---|---|
| SMILES | CCOC(=O)CC(=O)CCCCCCF |
| InChIKey | LDELXTRDOWVUFX-UHFFFAOYSA-N |
Product Overview
Ethyl 9-fluoro-3-oxononanoate (CAS 502-36-3), with molecular formula C11H19FO3 and molecular weight 218.13 g/mol. IUPAC: ethyl 9-fluoro-3-oxononanoate.
Chemical Property Profile of Ethyl 9-fluoro-3-oxononanoate
Property Insights of Ethyl 9-fluoro-3-oxononanoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 9-fluoro-3-oxononanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 9-fluoro-3-oxononanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 9-fluoro-3-oxononanoate has 0 hydrogen bond donor(s) and 4 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 9-fluoro-3-oxononanoate?
The CAS number of Ethyl 9-fluoro-3-oxononanoate is 502-36-3.
What is the molecular formula of Ethyl 9-fluoro-3-oxononanoate?
The molecular formula of Ethyl 9-fluoro-3-oxononanoate is C11H19FO3.
What is the molecular weight of Ethyl 9-fluoro-3-oxononanoate?
The molecular weight of Ethyl 9-fluoro-3-oxononanoate is 218.13 g/mol.
Where can I buy Ethyl 9-fluoro-3-oxononanoate?
You can request a quote for Ethyl 9-fluoro-3-oxononanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 9-fluoro-3-oxononanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 9-fluoro-3-oxononanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.