8-氟辛酸乙酯
TL;DR: 8-氟辛酸乙酯 (CAS 332-97-8) is a chemical compound with molecular formula C10H19FO2 and molecular weight 190.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-氟辛酸乙酯
ethyl 8-fluorooctanoate
Also Known As: Ethyl 8-fluorooctanoate, Ethyl omega-fluorooctanoate, ethyl-8-fluorooctanoate, starbld0046177, 8-Fluorooctanoic acid ethyl ester
| Molecular Formula | C10H19FO2 |
|---|---|
| Molecular Weight | 190.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 190.1369 |
| Heavy Atoms | 13 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 332-97-8 |
|---|---|
| SMILES | CCOC(=O)CCCCCCCF |
| InChIKey | CHPYVNWQOQDEMI-UHFFFAOYSA-N |
Product Overview
8-氟辛酸乙酯 (CAS 332-97-8), with molecular formula C10H19FO2 and molecular weight 190.14 g/mol. IUPAC: ethyl 8-fluorooctanoate.
Chemical Property Profile of 8-氟辛酸乙酯
Property Insights of 8-氟辛酸乙酯
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-氟辛酸乙酯. With a topological polar surface area (TPSA) of 26.3 Ų, 8-氟辛酸乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-氟辛酸乙酯 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 8-氟辛酸乙酯?
The CAS number of 8-氟辛酸乙酯 is 332-97-8.
What is the molecular formula of 8-氟辛酸乙酯?
The molecular formula of 8-氟辛酸乙酯 is C10H19FO2.
What is the molecular weight of 8-氟辛酸乙酯?
The molecular weight of 8-氟辛酸乙酯 is 190.14 g/mol.
Where can I buy 8-氟辛酸乙酯?
You can request a quote for 8-氟辛酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-氟辛酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 8-氟辛酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.