9-氟壬酸乙酯
TL;DR: 9-氟壬酸乙酯 (CAS 462-68-0) is a chemical compound with molecular formula C11H21FO2 and molecular weight 204.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-氟壬酸乙酯
ethyl 9-fluorononanoate
Also Known As: Ethyl 9-fluorononanoate, Ethyl omega-fluorononanoate, 9-Fluorononanoicacidethylester, 9-Fluor-nonansaeure-aethylester, 9-Fluorononanoic acid ethyl ester
| Molecular Formula | C11H21FO2 |
|---|---|
| Molecular Weight | 204.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 204.15256 |
| Heavy Atoms | 14 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 462-68-0 |
|---|---|
| SMILES | CCOC(=O)CCCCCCCCF |
| InChIKey | DUWYUDWWVKOQOO-UHFFFAOYSA-N |
Product Overview
9-氟壬酸乙酯 (CAS 462-68-0), with molecular formula C11H21FO2 and molecular weight 204.15 g/mol. IUPAC: ethyl 9-fluorononanoate.
Chemical Property Profile of 9-氟壬酸乙酯
Property Insights of 9-氟壬酸乙酯
The XLogP value of 3.5 indicates that 9-氟壬酸乙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 9-氟壬酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-氟壬酸乙酯 has 0 hydrogen bond donor(s) and 3 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 9-氟壬酸乙酯?
The CAS number of 9-氟壬酸乙酯 is 462-68-0.
What is the molecular formula of 9-氟壬酸乙酯?
The molecular formula of 9-氟壬酸乙酯 is C11H21FO2.
What is the molecular weight of 9-氟壬酸乙酯?
The molecular weight of 9-氟壬酸乙酯 is 204.15 g/mol.
Where can I buy 9-氟壬酸乙酯?
You can request a quote for 9-氟壬酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-氟壬酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 9-氟壬酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.